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]+ 241.041926 145.5
[M+Na]+ 263.023868 156.4
[M-H]- 239.027374 145.8
[M+NH4]+ 258.068473 161.1
[M+K]+ 278.997808 152.2
[M+H-H2O]+ 223.031910 136.7
[M+HCOO]- 285.032851 164.0
[M+CH3COO]- 299.048501 186.6
[M+Na-2H]- 261.009316 147.1
[M]+ 240.03410142 143.6
[M]- 240.03519858 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.