CID 2778306

277756-46-4

Structural Information

Molecular Formula

C₅H₅F₃O₂

SMILES

C1CC1(C(=O)O)C(F)(F)F

InChI

InChI=1S/C5H5F3O2/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H,9,10)

InChIKey

SKCBKBCACWDALV-UHFFFAOYSA-N

Compound name

1-(trifluoromethyl)cyclopropane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1786
Patents: 154.02417 Da
Monoisotopic Mass: 1.2
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]+	155.03145	139.1
[M+Na]+	177.01339	146.2
[M+NH4]+	172.05799	145.5
[M+K]+	192.98733	143.3
[M-H]-	153.01689	140.3
[M+Na-2H]-	174.99884	144.1
[M]+	154.02362	141.1
[M]-	154.02472	141.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe