CID 83397928

5-bromo-7-methyl-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H7BrN2O2
SMILES
CC1=CC(=CC2=C(NN=C12)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O2/c1-4-2-5(10)3-6-7(4)11-12-8(6)9(13)14/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKey
ZDVRSACZEUSLSI-UHFFFAOYSA-N
Compound name
5-bromo-7-methyl-2H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.96909 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.976366 144.9
[M+Na]+ 276.958308 159.2
[M-H]- 252.961814 148.3
[M+NH4]+ 272.002913 165.1
[M+K]+ 292.932248 147.1
[M+H-H2O]+ 236.966350 145.0
[M+HCOO]- 298.967291 163.3
[M+CH3COO]- 312.982941 186.6
[M+Na-2H]- 274.943756 151.4
[M]+ 253.96854142 164.4
[M]- 253.96963858 164.4
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

No patent data available for this compound.