CID 24728400

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

Structural Information

Molecular Formula
C9H5BrN2O3
SMILES
C1=C(C=C(C2=C(NN=C21)C=O)Br)C(=O)O
InChI
InChI=1S/C9H5BrN2O3/c10-5-1-4(9(14)15)2-6-8(5)7(3-13)12-11-6/h1-3H,(H,11,12)(H,14,15)
InChIKey
IVFLTQPQOXRHQM-UHFFFAOYSA-N
Compound name
4-bromo-3-formyl-2H-indazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

267.94836 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.955636 145.9
[M+Na]+ 290.937578 160.2
[M-H]- 266.941084 149.2
[M+NH4]+ 285.982183 165.3
[M+K]+ 306.911518 148.0
[M+H-H2O]+ 250.945620 145.8
[M+HCOO]- 312.946561 164.6
[M+CH3COO]- 326.962211 187.8
[M+Na-2H]- 288.923026 152.4
[M]+ 267.94781142 166.0
[M]- 267.94890858 166.0
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

patents stripe