3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptacosafluoropentadecan-1-ol (C15H5F27O)

Structural Information

Molecular Formula

SMILES

C(CO)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

InChI

InChI=1S/C15H5F27O/c16-3(17,1-2-43)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)42/h43H,1-2H2

InChIKey

VQXBYKPWJNOTLT-UHFFFAOYSA-N

Compound name

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptacosafluoropentadecan-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]+	714.998176	196.7
[M+Na]+	736.980118	199.0
[M-H]-	712.983624	207.0
[M+NH4]+	732.024723	207.1
[M+K]+	752.954058	213.7
[M+H-H2O]+	696.988160	182.6
[M+HCOO]-	758.989101	213.2
[M+CH3COO]-	773.004751	262.6
[M+Na-2H]-	734.965566	198.0
[M]+	713.99035142	194.3
[M]-	713.99144858	194.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

714.998176

196.7

[M+Na]+

736.980118

199.0

[M-H]-

712.983624

207.0

[M+NH4]+

732.024723

207.1

[M+K]+

752.954058

213.7

[M+H-H2O]+

696.988160

182.6

[M+HCOO]-

758.989101

213.2

[M+CH3COO]-

773.004751

262.6

[M+Na-2H]-

734.965566

198.0

[M]+

713.99035142

194.3

[M]-

713.99144858

194.3

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

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptacosafluoropentadecan-1-ol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe