PubChemLite - 2-(perfluorotetradecyl)ethanol (C16H5F29O)

Structural Information

Molecular Formula

SMILES

C(CO)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/C16H5F29O/c17-3(18,1-2-46)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h46H,1-2H2

InChIKey

ZDUOTHMDVYXZBS-UHFFFAOYSA-N

Compound name

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-nonacosafluorohexadecan-1-ol

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]+	764.99501	204.2
[M+Na]+	786.97695	206.1
[M-H]-	762.98045	215.2
[M+NH4]+	782.02155	214.9
[M+K]+	802.95089	221.5
[M+H-H2O]+	746.98499	190.1
[M+HCOO]-	808.98593	220.0
[M+CH3COO]-	823.00158	266.7
[M+Na-2H]-	784.96240	206.0
[M]+	763.98718	201.5
[M]-	763.98828	201.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

764.99501

204.2

[M+Na]+

786.97695

206.1

[M-H]-

762.98045

215.2

[M+NH4]+

782.02155

214.9

[M+K]+

802.95089

221.5

[M+H-H2O]+

746.98499

190.1

[M+HCOO]-

808.98593

220.0

[M+CH3COO]-

823.00158

266.7

[M+Na-2H]-

784.96240

206.0

[M]+

763.98718

201.5

[M]-

763.98828

201.5

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

2-(perfluorotetradecyl)ethanol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe