CID 64176482

1341347-35-0

Structural Information

Molecular Formula

C₆H₅F₃N₂O₂

SMILES

C1=C(C=NN1CC(=O)O)C(F)(F)F

InChI

InChI=1S/C6H5F3N2O2/c7-6(8,9)4-1-10-11(2-4)3-5(12)13/h1-2H,3H2,(H,12,13)

InChIKey

HAQGKYLGVJFNQY-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethyl)pyrazol-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 194.03032 Da
Monoisotopic Mass: 0.8
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]+	195.03760	133.7
[M+Na]+	217.01954	143.3
[M-H]-	193.02304	130.0
[M+NH4]+	212.06414	151.6
[M+K]+	232.99348	141.3
[M+H-H2O]+	177.02758	125.1
[M+HCOO]-	239.02852	150.7
[M+CH3COO]-	253.04417	178.1
[M+Na-2H]-	215.00499	137.8
[M]+	194.02977	130.1
[M]-	194.03087	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe