CID 43133814

1-(2,4-difluorophenyl)-4-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H6F2N2O3
SMILES
C1=CC(=C(C=C1F)F)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C10H6F2N2O3/c11-5-1-2-7(6(12)3-5)14-4-8(15)9(13-14)10(16)17/h1-4,15H,(H,16,17)
InChIKey
VNRMGIYUWUEYEC-UHFFFAOYSA-N
Compound name
1-(2,4-difluorophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.03465 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.04193 145.5
[M+Na]+ 263.02387 156.4
[M-H]- 239.02737 145.8
[M+NH4]+ 258.06847 161.1
[M+K]+ 278.99781 152.2
[M+H-H2O]+ 223.03191 136.7
[M+HCOO]- 285.03285 164.0
[M+CH3COO]- 299.04850 186.6
[M+Na-2H]- 261.00932 147.1
[M]+ 240.03410 143.6
[M]- 240.03520 143.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.