Dpflca_5_n, n=6 (C14HF25O2)

Structural Information

Molecular Formula

SMILES

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

InChI

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

InChIKey

HSKGYOGSOJQSKS-OWOJBTEDSA-N

Compound name

(E)-2,2,3,3,4,4,5,5,6,6,7,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluorotetradec-7-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]+	676.965036	196.6
[M+Na]+	698.946978	200.9
[M-H]-	674.950484	209.4
[M+NH4]+	693.991583	209.8
[M+K]+	714.920918	214.3
[M+H-H2O]+	658.955020	184.7
[M+HCOO]-	720.955961	209.2
[M+CH3COO]-	734.971611	258.0
[M+Na-2H]-	696.932426	197.7
[M]+	675.95721142	192.8
[M]-	675.95830858	192.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

676.965036

196.6

[M+Na]+

698.946978

200.9

[M-H]-

674.950484

209.4

[M+NH4]+

693.991583

209.8

[M+K]+

714.920918

214.3

[M+H-H2O]+

658.955020

184.7

[M+HCOO]-

720.955961

209.2

[M+CH3COO]-

734.971611

258.0

[M+Na-2H]-

696.932426

197.7

[M]+

675.95721142

192.8

[M]-

675.95830858

192.8

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

Dpflca_5_n, n=6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe