CID 57546183

5-chloro-1h-indazole-7-carboxylic acid

Structural Information

Molecular Formula
C8H5ClN2O2
SMILES
C1=C(C=C(C2=C1C=NN2)C(=O)O)Cl
InChI
InChI=1S/C8H5ClN2O2/c9-5-1-4-3-10-11-7(4)6(2-5)8(12)13/h1-3H,(H,10,11)(H,12,13)
InChIKey
VNJXVZJEPIMSIW-UHFFFAOYSA-N
Compound name
5-chloro-1H-indazole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

196.00395 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.011226 135.3
[M+Na]+ 218.993168 147.2
[M-H]- 194.996674 135.6
[M+NH4]+ 214.037773 154.7
[M+K]+ 234.967108 141.9
[M+H-H2O]+ 179.001210 129.8
[M+HCOO]- 241.002151 151.7
[M+CH3COO]- 255.017801 148.8
[M+Na-2H]- 216.978616 141.6
[M]+ 196.00340142 137.4
[M]- 196.00449858 137.4
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