17-(perfluorotetradecyl)-3,6,9,12,15-pentaoxaheptadecanol (C26H25F29O6)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCO)C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

InChI

InChI=1S/C26H25F29O6/c27-13(28,1-3-57-5-7-59-9-11-61-12-10-60-8-6-58-4-2-56)14(29,30)15(31,32)16(33,34)17(35,36)18(37,38)19(39,40)20(41,42)21(43,44)22(45,46)23(47,48)24(49,50)25(51,52)26(53,54)55/h56H,1-12H2

InChIKey

MKTILPAUTHOCHR-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	985.126116	238.8
[M+Na]+	1007.108058	237.9
[M-H]-	983.111564	249.6
[M+NH4]+	1002.152663	251.5
[M+K]+	1023.081998	255.7
[M+H-H2O]+	967.116100	224.1
[M+HCOO]-	1029.117041	251.3
[M+CH3COO]-	1043.132691	287.1
[M+Na-2H]-	1005.093506	236.1
[M]+	984.11829142	238.1
[M]-	984.11938858	238.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

985.126116

238.8

[M+Na]+

1007.108058

237.9

[M-H]-

983.111564

249.6

[M+NH4]+

1002.152663

251.5

[M+K]+

1023.081998

255.7

[M+H-H2O]+

967.116100

224.1

[M+HCOO]-

1029.117041

251.3

[M+CH3COO]-

1043.132691

287.1

[M+Na-2H]-

1005.093506

236.1

[M]+

984.11829142

238.1

[M]-

984.11938858

238.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

17-(perfluorotetradecyl)-3,6,9,12,15-pentaoxaheptadecanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe