CID 118990026

6-bromo-7-fluoro-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C8H4BrFN2O2
SMILES
C1=CC(=C(C2=NNC(=C21)C(=O)O)F)Br
InChI
InChI=1S/C8H4BrFN2O2/c9-4-2-1-3-6(5(4)10)11-12-7(3)8(13)14/h1-2H,(H,11,12)(H,13,14)
InChIKey
OCJYSWLFBBMKPK-UHFFFAOYSA-N
Compound name
6-bromo-7-fluoro-2H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

257.94403 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.95131 143.7
[M+Na]+ 280.93325 158.4
[M-H]- 256.93675 146.0
[M+NH4]+ 275.97785 163.7
[M+K]+ 296.90719 146.0
[M+H-H2O]+ 240.94129 143.1
[M+HCOO]- 302.94223 161.5
[M+CH3COO]- 316.95788 186.3
[M+Na-2H]- 278.91870 150.1
[M]+ 257.94348 161.9
[M]- 257.94458 161.9
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