CID 16202416

5-bromo-1h-indazole-3-carbaldehyde

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=CC2=NNC(=C2C=C1Br)C=O
InChI
InChI=1S/C8H5BrN2O/c9-5-1-2-7-6(3-5)8(4-12)11-10-7/h1-4H,(H,10,11)
InChIKey
ILGTYHMEQSSHFG-UHFFFAOYSA-N
Compound name
5-bromo-2H-indazole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

145
Patents

223.95853 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.965806 136.4
[M+Na]+ 246.947748 151.4
[M-H]- 222.951254 140.9
[M+NH4]+ 241.992353 158.4
[M+K]+ 262.921688 139.4
[M+H-H2O]+ 206.955790 136.6
[M+HCOO]- 268.956731 157.5
[M+CH3COO]- 282.972381 152.4
[M+Na-2H]- 244.933196 145.8
[M]+ 223.95798142 156.3
[M]- 223.95907858 156.3
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