CID 646303

5-(2-chlorophenyl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC=C(C(=C1)C2=NNC(=C2)C(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O2/c11-7-4-2-1-3-6(7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
InChIKey
YECLPKDINYXXNB-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

42
Patents

222.0196 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 144.9
[M+Na]+ 245.00882 158.4
[M+NH4]+ 240.05342 152.2
[M+K]+ 260.98276 154.3
[M-H]- 221.01232 146.1
[M+Na-2H]- 242.99427 151.9
[M]+ 222.01905 147.3
[M]- 222.02015 147.3
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

patents stripe