1-tetradecanol, 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-heptacosafluoro- (C14H3F27O)

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)O

InChI

InChI=1S/C14H3F27O/c15-2(16,1-42)3(17,18)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)41/h42H,1H2

InChIKey

WYCXYEWKMLSDBQ-UHFFFAOYSA-N

Compound name

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-heptacosafluorotetradecan-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]+	700.982576	193.5
[M+Na]+	722.964518	195.9
[M-H]-	698.968024	204.1
[M+NH4]+	718.009123	203.9
[M+K]+	738.938458	210.4
[M+H-H2O]+	682.972560	179.5
[M+HCOO]-	744.973501	210.3
[M+CH3COO]-	758.989151	260.9
[M+Na-2H]-	720.949966	195.2
[M]+	699.97475142	191.1
[M]-	699.97584858	191.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

700.982576

193.5

[M+Na]+

722.964518

195.9

[M-H]-

698.968024

204.1

[M+NH4]+

718.009123

203.9

[M+K]+

738.938458

210.4

[M+H-H2O]+

682.972560

179.5

[M+HCOO]-

744.973501

210.3

[M+CH3COO]-

758.989151

260.9

[M+Na-2H]-

720.949966

195.2

[M]+

699.97475142

191.1

[M]-

699.97584858

191.1

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

1-tetradecanol, 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-heptacosafluoro-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe