CID 97182217

6-bromo-1h-indazole-4-carbaldehyde

Structural Information

Molecular Formula
C8H5BrN2O
SMILES
C1=C(C=C2C(=C1C=O)C=NN2)Br
InChI
InChI=1S/C8H5BrN2O/c9-6-1-5(4-12)7-3-10-11-8(7)2-6/h1-4H,(H,10,11)
InChIKey
OBCKXMAOBDIDOR-UHFFFAOYSA-N
Compound name
6-bromo-1H-indazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

223.95853 Da
Monoisotopic Mass

1.7
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

No literature data available for this compound.

Patent stripe

patents stripe