1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluorotetradecane (C14HF29)

Structural Information

Molecular Formula

SMILES

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/C14HF29/c15-1(16)2(17,18)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)43/h1H

InChIKey

VGKYUGZSJHXAMS-UHFFFAOYSA-N

Compound name

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluorotetradecane

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]+	720.968776	199.7
[M+Na]+	742.950718	203.2
[M-H]-	718.954224	210.6
[M+NH4]+	737.995323	211.6
[M+K]+	758.924658	217.8
[M+H-H2O]+	702.958760	187.4
[M+HCOO]-	764.959701	215.3
[M+CH3COO]-	778.975351	264.3
[M+Na-2H]-	740.936166	202.5
[M]+	719.96095142	196.4
[M]-	719.96204858	196.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

720.968776

199.7

[M+Na]+

742.950718

203.2

[M-H]-

718.954224

210.6

[M+NH4]+

737.995323

211.6

[M+K]+

758.924658

217.8

[M+H-H2O]+

702.958760

187.4

[M+HCOO]-

764.959701

215.3

[M+CH3COO]-

778.975351

264.3

[M+Na-2H]-

740.936166

202.5

[M]+

719.96095142

196.4

[M]-

719.96204858

196.4

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

1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluorotetradecane

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe