CID 121256130

1898213-92-7

Structural Information

Molecular Formula

C₆H₆F₂N₂O₂

SMILES

C1=C(C=NN1C(F)F)CC(=O)O

InChI

InChI=1S/C6H6F2N2O2/c7-6(8)10-3-4(2-9-10)1-5(11)12/h2-3,6H,1H2,(H,11,12)

InChIKey

ABWBJWXXQIWPQG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 176.03973 Da
Monoisotopic Mass: 0.5
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]+	177.04701	135.9
[M+Na]+	199.02895	143.9
[M+NH4]+	194.07355	140.7
[M+K]+	215.00289	142.4
[M-H]-	175.03245	131.4
[M+Na-2H]-	197.01440	138.2
[M]+	176.03918	135.1
[M]-	176.04028	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe