Ns00134244 (C14HClF26O4)

Structural Information

Molecular Formula

SMILES

C(=O)(C(OC(C(C(C(C(C(OC(C(C(F)(F)F)(F)Cl)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)O

InChI

InChI=1S/C14HClF26O4/c15-5(20,11(32,33)34)14(40,41)45-13(38,39)4(19,10(29,30)31)6(21,22)3(18,9(26,27)28)7(23,24)8(25,12(35,36)37)44-2(16,17)1(42)43/h(H,42,43)

InChIKey

JNJZBYWPCVEZQK-UHFFFAOYSA-N

Compound name

2-[6-[(2-chloro-1,1,2,3,3,3-hexafluoropropoxy)-difluoromethyl]-1,1,1,2,3,3,4,5,5,6,7,7,7-tridecafluoro-4-(trifluoromethyl)heptan-2-yl]oxy-2,2-difluoroacetic 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]+	762.922076	198.2
[M+Na]+	784.904018	200.7
[M-H]-	760.907524	212.4
[M+NH4]+	779.948623	211.8
[M+K]+	800.877958	215.3
[M+H-H2O]+	744.912060	184.9
[M+HCOO]-	806.913001	214.2
[M+CH3COO]-	820.928651	263.1
[M+Na-2H]-	782.889466	199.8
[M]+	761.91425142	198.7
[M]-	761.91534858	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

762.922076

198.2

[M+Na]+

784.904018

200.7

[M-H]-

760.907524

212.4

[M+NH4]+

779.948623

211.8

[M+K]+

800.877958

215.3

[M+H-H2O]+

744.912060

184.9

[M+HCOO]-

806.913001

214.2

[M+CH3COO]-

820.928651

263.1

[M+Na-2H]-

782.889466

199.8

[M]+

761.91425142

198.7

[M]-

761.91534858

198.7

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

Ns00134244

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe