CID 92134549

5-bromo-7-chloro-1h-indazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H4BrClN2O2
SMILES
C1=C(C2=C(C=NN2)C(=C1Br)C(=O)O)Cl
InChI
InChI=1S/C8H4BrClN2O2/c9-4-1-5(10)7-3(2-11-12-7)6(4)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
RHAIGTRMJSHWIM-UHFFFAOYSA-N
Compound name
5-bromo-7-chloro-1H-indazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.91446 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.92174 144.6
[M+Na]+ 296.90368 160.3
[M-H]- 272.90718 148.0
[M+NH4]+ 291.94828 164.9
[M+K]+ 312.87762 146.6
[M+H-H2O]+ 256.91172 145.5
[M+HCOO]- 318.91266 158.9
[M+CH3COO]- 332.92831 159.6
[M+Na-2H]- 294.88913 151.4
[M]+ 273.91391 165.5
[M]- 273.91501 165.5
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.