CID 5311912

2-chloro-5-(1h-pyrazol-1-yl)benzoic acid

Structural Information

Molecular Formula
C10H7ClN2O2
SMILES
C1=CN(N=C1)C2=CC(=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C10H7ClN2O2/c11-9-3-2-7(6-8(9)10(14)15)13-5-1-4-12-13/h1-6H,(H,14,15)
InChIKey
IJWPYVIFFDSOQM-UHFFFAOYSA-N
Compound name
2-chloro-5-pyrazol-1-ylbenzoic 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 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.