CID 43133823

1-(3-chlorophenyl)-4-hydroxy-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
C1=CC(=CC(=C1)Cl)N2C=C(C(=N2)C(=O)O)O
InChI
InChI=1S/C10H7ClN2O3/c11-6-2-1-3-7(4-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKey
QLICPCLFCNLDGA-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.01453 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.021806 146.5
[M+Na]+ 261.003748 157.2
[M-H]- 237.007254 149.0
[M+NH4]+ 256.048353 162.9
[M+K]+ 276.977688 152.2
[M+H-H2O]+ 221.011790 139.9
[M+HCOO]- 283.012731 162.6
[M+CH3COO]- 297.028381 183.7
[M+Na-2H]- 258.989196 149.5
[M]+ 238.01398142 148.4
[M]- 238.01507858 148.4
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.