CID 53417580

1093750-93-6

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

C1C(CC1C(F)(F)F)C(=O)O

InChI

InChI=1S/C6H7F3O2/c7-6(8,9)4-1-3(2-4)5(10)11/h3-4H,1-2H2,(H,10,11)

InChIKey

ZSULKAPJHICPKB-UHFFFAOYSA-N

Compound name

3-(trifluoromethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 158
Patents: 168.03981 Da
Monoisotopic Mass: 1.6
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	146.0
[M+Na]+	191.02903	148.7
[M+NH4]+	186.07363	147.3
[M+K]+	207.00297	146.7
[M-H]-	167.03253	138.7
[M+Na-2H]-	189.01448	144.4
[M]+	168.03926	142.7
[M]-	168.04036	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe