CID 10610012

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

Structural Information

Molecular Formula
C10H7ClN2O3
SMILES
C1=CC(=CC=C1N2C=C(C(=N2)C(=O)O)O)Cl
InChI
InChI=1S/C10H7ClN2O3/c11-6-1-3-7(4-2-6)13-5-8(14)9(12-13)10(15)16/h1-5,14H,(H,15,16)
InChIKey
MFQVFEHBGPWURG-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-hydroxypyrazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 239.02181 147.8
[M+Na]+ 261.00375 161.1
[M+NH4]+ 256.04835 154.5
[M+K]+ 276.97769 157.8
[M-H]- 237.00725 148.5
[M+Na-2H]- 258.98920 154.0
[M]+ 238.01398 149.9
[M]- 238.01508 149.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.