CID 68937116

Schembl4161086

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

C1CC(C(C1)(F)F)(C(=O)O)F

InChI

InChI=1S/C6H7F3O2/c7-5(4(10)11)2-1-3-6(5,8)9/h1-3H2,(H,10,11)

InChIKey

DCNOOSYQMDMLII-UHFFFAOYSA-N

Compound name

1,2,2-trifluorocyclopentane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 168.03981 Da
Monoisotopic Mass: 1.5
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]+	169.04709	127.2
[M+Na]+	191.02903	136.2
[M-H]-	167.03253	126.0
[M+NH4]+	186.07363	152.5
[M+K]+	207.00297	134.6
[M+H-H2O]+	151.03707	122.1
[M+HCOO]-	213.03801	145.5
[M+CH3COO]-	227.05366	173.2
[M+Na-2H]-	189.01448	131.3
[M]+	168.03926	121.0
[M]-	168.04036	121.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe