CID 2782838

277756-45-3

Structural Information

Molecular Formula

C₆H₇F₃O₂

SMILES

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

InChI

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

InChIKey

HYRCPSRIIWIESW-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)cyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 595
Patents: 168.03981 Da
Monoisotopic Mass: 1.7
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	145.5
[M+Na]+	191.02903	148.0
[M+NH4]+	186.07363	148.1
[M+K]+	207.00297	144.5
[M-H]-	167.03253	138.1
[M+Na-2H]-	189.01448	145.6
[M]+	168.03926	142.4
[M]-	168.04036	142.4

Literature stripe

literature stripe

Patent stripe

patents stripe