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 148.9
[M+Na]+ 260.01972 158.7
[M-H]- 236.02322 150.8
[M+NH4]+ 255.06432 164.8
[M+K]+ 275.99366 152.8
[M+H-H2O]+ 220.02776 142.1
[M+HCOO]- 282.02870 165.1
[M+CH3COO]- 296.04435 186.1
[M+Na-2H]- 258.00517 151.2
[M]+ 237.02995 147.7
[M]- 237.03105 147.7
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.