CID 13303406

1h-pyrazole-3-carboxylic acid, 4-amino-5-(4-chlorophenyl)-

Structural Information

Molecular Formula
C10H8ClN3O2
SMILES
C1=CC(=CC=C1C2=NNC(=C2N)C(=O)O)Cl
InChI
InChI=1S/C10H8ClN3O2/c11-6-3-1-5(2-4-6)8-7(12)9(10(15)16)14-13-8/h1-4H,12H2,(H,13,14)(H,15,16)
InChIKey
GFSIIJMNOCXRGV-UHFFFAOYSA-N
Compound name
4-amino-3-(4-chlorophenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.0305 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.03778 148.8
[M+Na]+ 260.01972 161.0
[M+NH4]+ 255.06432 155.4
[M+K]+ 275.99366 157.9
[M-H]- 236.02322 150.1
[M+Na-2H]- 258.00517 154.7
[M]+ 237.02995 150.9
[M]- 237.03105 150.9
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.