CID 2776041

Perfluorocyclohexanecarboxylic acid

Structural Information

Molecular Formula

C₇HF₁₁O₂

SMILES

C(=O)(C1(C(C(C(C(C1(F)F)(F)F)(F)F)(F)F)(F)F)F)O

InChI

InChI=1S/C7HF11O2/c8-2(1(19)20)3(9,10)5(13,14)7(17,18)6(15,16)4(2,11)12/h(H,19,20)

InChIKey

VTXSVMHCHVIRJR-UHFFFAOYSA-N

Compound name

1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 573
Patents: 325.9801 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

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]+	326.98738	138.8
[M+Na]+	348.96932	154.5
[M-H]-	324.97282	130.9
[M+NH4]+	344.01392	163.4
[M+K]+	364.94326	151.6
[M+H-H2O]+	308.97736	131.9
[M+HCOO]-	370.97830	146.5
[M+CH3COO]-	384.99395	205.5
[M+Na-2H]-	346.95477	142.9
[M]+	325.97955	125.5
[M]-	325.98065	125.5

Literature stripe

literature stripe

Patent stripe

patents stripe