CID 76846268

7-bromo-4-methoxy-1h-indazole-3-carboxylic acid

Structural Information

Molecular Formula
C9H7BrN2O3
SMILES
COC1=CC=C(C2=NNC(=C12)C(=O)O)Br
InChI
InChI=1S/C9H7BrN2O3/c1-15-5-3-2-4(10)7-6(5)8(9(13)14)12-11-7/h2-3H,1H3,(H,11,12)(H,13,14)
InChIKey
NRMOGNFZLYYFSJ-UHFFFAOYSA-N
Compound name
7-bromo-4-methoxy-2H-indazole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.964 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.97128 147.2
[M+Na]+ 292.95322 161.2
[M-H]- 268.95672 150.5
[M+NH4]+ 287.99782 166.6
[M+K]+ 308.92716 149.6
[M+H-H2O]+ 252.96126 147.1
[M+HCOO]- 314.96220 165.7
[M+CH3COO]- 328.97785 188.6
[M+Na-2H]- 290.93867 153.7
[M]+ 269.96345 168.0
[M]- 269.96455 168.0
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.