CID 68628544

1703774-28-0

Structural Information

Molecular Formula

C₇H₈F₂N₂O₂

SMILES

CC1=C(C(=NN1C)C(F)F)C(=O)O

InChI

InChI=1S/C7H8F2N2O2/c1-3-4(7(12)13)5(6(8)9)10-11(3)2/h6H,1-2H3,(H,12,13)

InChIKey

SDPXAEUIPJRMIX-UHFFFAOYSA-N

Compound name

3-(difluoromethyl)-1,5-dimethylpyrazole-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 190.05539 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]+	191.062666	134.6
[M+Na]+	213.044608	144.9
[M-H]-	189.048114	132.6
[M+NH4]+	208.089213	153.1
[M+K]+	229.018548	143.1
[M+H-H2O]+	173.052650	126.9
[M+HCOO]-	235.053591	152.9
[M+CH3COO]-	249.069241	182.0
[M+Na-2H]-	211.030056	135.4
[M]+	190.05484142	133.4
[M]-	190.05593858	133.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe