PubChemLite - Dpflca_n_1, n=10 (C14HF25O2)

Structural Information

Molecular Formula

SMILES

C(=C(/C(F)(F)F)\F)(\C(C(C(C(C(C(C(C(C(C(C(=O)O)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)/F

InChI

InChI=1S/C14HF25O2/c15-1(2(16)6(21,22)23)4(17,18)7(24,25)9(28,29)11(32,33)13(36,37)14(38,39)12(34,35)10(30,31)8(26,27)5(19,20)3(40)41/h(H,40,41)/b2-1+

InChIKey

MOLOFTDDZKJMNR-OWOJBTEDSA-N

Compound name

(E)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,14,14,14-pentacosafluorotetradec-12-enoic acid

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]+	676.96504	196.6
[M+Na]+	698.94698	200.9
[M-H]-	674.95048	209.4
[M+NH4]+	693.99158	209.8
[M+K]+	714.92092	214.3
[M+H-H2O]+	658.95502	184.7
[M+HCOO]-	720.95596	209.2
[M+CH3COO]-	734.97161	258.0
[M+Na-2H]-	696.93243	197.7
[M]+	675.95721	192.8
[M]-	675.95831	192.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.96504

196.6

[M+Na]+

698.94698

200.9

[M-H]-

674.95048

209.4

[M+NH4]+

693.99158

209.8

[M+K]+

714.92092

214.3

[M+H-H2O]+

658.95502

184.7

[M+HCOO]-

720.95596

209.2

[M+CH3COO]-

734.97161

258.0

[M+Na-2H]-

696.93243

197.7

[M]+

675.95721

192.8

[M]-

675.95831

192.8

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

Dpflca_n_1, n=10

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe