CID 10704295

138907-80-9

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=CC=C1N2C=C(C=N2)C(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O2/c11-8-1-3-9(4-2-8)13-6-7(5-12-13)10(14)15/h1-6H,(H,14,15)
InChIKey
PBSAOBJMSYDULI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

56
Patents

222.0196 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.02688 143.7
[M+Na]+ 245.00882 154.0
[M-H]- 221.01232 147.1
[M+NH4]+ 240.05342 161.2
[M+K]+ 260.98276 149.3
[M+H-H2O]+ 205.01686 136.6
[M+HCOO]- 267.01780 161.0
[M+CH3COO]- 281.03345 182.8
[M+Na-2H]- 242.99427 147.7
[M]+ 222.01905 145.5
[M]- 222.02015 145.5
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