CID 24728838

6-bromo-1h-indazole-4-carboxylic acid

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=C(C=C2C(=C1C(=O)O)C=NN2)Br
InChI
InChI=1S/C8H5BrN2O2/c9-4-1-5(8(12)13)6-3-10-11-7(6)2-4/h1-3H,(H,10,11)(H,12,13)
InChIKey
YYONCBWTWPVWRT-UHFFFAOYSA-N
Compound name
6-bromo-1H-indazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

239.95345 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.960726 140.5
[M+Na]+ 262.942668 154.3
[M-H]- 238.946174 143.7
[M+NH4]+ 257.987273 160.9
[M+K]+ 278.916608 142.4
[M+H-H2O]+ 222.950710 140.6
[M+HCOO]- 284.951651 159.2
[M+CH3COO]- 298.967301 182.6
[M+Na-2H]- 260.928116 148.2
[M]+ 239.95290142 159.3
[M]- 239.95399858 159.3
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