PubChemLite - 17-(perfluorododecyl)-3,6,9,12,15-pentaoxaheptadecanol (C24H25F25O6)

Structural Information

Molecular Formula

SMILES

C(COCCOCCOCCOCCOCCO)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

InChI

InChI=1S/C24H25F25O6/c25-13(26,1-3-51-5-7-53-9-11-55-12-10-54-8-6-52-4-2-50)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)49/h50H,1-12H2

InChIKey

QOFIMJXOYVYACI-UHFFFAOYSA-N

Compound name

2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradecoxy)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]+	885.13248	225.6
[M+Na]+	907.11442	225.1
[M-H]-	883.11792	234.9
[M+NH4]+	902.15902	237.9
[M+K]+	923.08836	241.7
[M+H-H2O]+	867.12246	211.0
[M+HCOO]-	929.12340	239.4
[M+CH3COO]-	943.13905	282.2
[M+Na-2H]-	905.09987	221.5
[M]+	884.12465	225.0
[M]-	884.12575	225.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

885.13248

225.6

[M+Na]+

907.11442

225.1

[M-H]-

883.11792

234.9

[M+NH4]+

902.15902

237.9

[M+K]+

923.08836

241.7

[M+H-H2O]+

867.12246

211.0

[M+HCOO]-

929.12340

239.4

[M+CH3COO]-

943.13905

282.2

[M+Na-2H]-

905.09987

221.5

[M]+

884.12465

225.0

[M]-

884.12575

225.0

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

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

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe