Dtxsid80895451 (C15H3F27)

Structural Information

Molecular Formula

SMILES

C=CC(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/C15H3F27/c1-2-3(16,17)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/h2H,1H2

InChIKey

NWVPZIXSRLLVAM-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-heptacosafluoropentadec-1-ene

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]+	696.987626	197.3
[M+Na]+	718.969568	200.9
[M-H]-	694.973074	207.9
[M+NH4]+	714.014173	208.9
[M+K]+	734.943508	215.3
[M+H-H2O]+	678.977610	183.9
[M+HCOO]-	740.978551	215.3
[M+CH3COO]-	754.994201	262.3
[M+Na-2H]-	716.955016	199.4
[M]+	695.97980142	195.4
[M]-	695.98089858	195.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

696.987626

197.3

[M+Na]+

718.969568

200.9

[M-H]-

694.973074

207.9

[M+NH4]+

714.014173

208.9

[M+K]+

734.943508

215.3

[M+H-H2O]+

678.977610

183.9

[M+HCOO]-

740.978551

215.3

[M+CH3COO]-

754.994201

262.3

[M+Na-2H]-

716.955016

199.4

[M]+

695.97980142

195.4

[M]-

695.98089858

195.4

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

Dtxsid80895451

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe