CID 13379935

22581-33-5

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

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

InChI

InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)

InChIKey

GSNLYQDUCHEFFQ-UHFFFAOYSA-N

Compound name

2-(trifluoromethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 204
Patents: 154.02417 Da
Monoisotopic Mass: 1.3
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]+	155.03145	137.9
[M+Na]+	177.01339	145.1
[M+NH4]+	172.05799	143.0
[M+K]+	192.98733	143.7
[M-H]-	153.01689	138.9
[M+Na-2H]-	174.99884	141.3
[M]+	154.02362	139.6
[M]-	154.02472	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe