PubChemLite - Dhopflca n=10 (C15H4F24O3)

Structural Information

Molecular Formula

SMILES

C(C(=O)O)OC(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

InChI

InChI=1S/C15H4F24O3/c16-3(1-5(17,18)19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)14(36,37)15(38,39)42-2-4(40)41/h1H,2H2,(H,40,41)/b3-1-

InChIKey

BAFVVEVIGZTCPA-IWQZZHSRSA-N

Compound name

2-[(Z)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,13,13,13-tetracosafluorotridec-11-enoxy]acetic 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]+	688.98498	195.8
[M+Na]+	710.96692	199.5
[M-H]-	686.97042	208.1
[M+NH4]+	706.01152	208.7
[M+K]+	726.94086	212.8
[M+H-H2O]+	670.97496	183.4
[M+HCOO]-	732.97590	210.2
[M+CH3COO]-	746.99155	259.2
[M+Na-2H]-	708.95237	196.1
[M]+	687.97715	193.0
[M]-	687.97825	193.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

688.98498

195.8

[M+Na]+

710.96692

199.5

[M-H]-

686.97042

208.1

[M+NH4]+

706.01152

208.7

[M+K]+

726.94086

212.8

[M+H-H2O]+

670.97496

183.4

[M+HCOO]-

732.97590

210.2

[M+CH3COO]-

746.99155

259.2

[M+Na-2H]-

708.95237

196.1

[M]+

687.97715

193.0

[M]-

687.97825

193.0

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

Dhopflca n=10

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe