CID 23005666

1007541-81-2

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CC(=CC(=C1)Cl)C2=C(C=NN2)C(=O)O
InChI
InChI=1S/C10H7ClN2O2/c11-7-3-1-2-6(4-7)9-8(10(14)15)5-12-13-9/h1-5H,(H,12,13)(H,14,15)
InChIKey
NRLXVXJRFCKANA-UHFFFAOYSA-N
Compound name
5-(3-chlorophenyl)-1H-pyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 144.1
[M+Na]+ 245.00882 154.0
[M-H]- 221.01232 146.2
[M+NH4]+ 240.05342 161.0
[M+K]+ 260.98276 148.4
[M+H-H2O]+ 205.01686 137.3
[M+HCOO]- 267.01780 160.0
[M+CH3COO]- 281.03345 180.4
[M+Na-2H]- 242.99427 147.7
[M]+ 222.01905 144.2
[M]- 222.02015 144.2
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

patents stripe