CID 19867566

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

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC2=C(NN=C2C=C1C(=O)O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-7-5-2-1-4(8(12)13)3-6(5)10-11-7/h1-3H,(H,10,11)(H,12,13)
InChIKey
PKOJMSAMIIFLSC-UHFFFAOYSA-N
Compound name
3-bromo-2H-indazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

239.95345 Da
Monoisotopic Mass

2.1
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

literature stripe

Patent stripe

patents stripe