CID 4304666

5,7-dibromo-1h-indole-3-carbaldehyde

Structural Information

Molecular Formula
C9H5Br2NO
SMILES
C1=C(C=C(C2=C1C(=CN2)C=O)Br)Br
InChI
InChI=1S/C9H5Br2NO/c10-6-1-7-5(4-13)3-12-9(7)8(11)2-6/h1-4,12H
InChIKey
JNRVKWFIKFDURF-UHFFFAOYSA-N
Compound name
5,7-dibromo-1H-indole-3-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

300.87378 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.88106 141.2
[M+Na]+ 323.86300 154.7
[M-H]- 299.86650 147.6
[M+NH4]+ 318.90760 161.5
[M+K]+ 339.83694 138.8
[M+H-H2O]+ 283.87104 149.9
[M+HCOO]- 345.87198 157.7
[M+CH3COO]- 359.88763 156.1
[M+Na-2H]- 321.84845 148.8
[M]+ 300.87323 176.3
[M]- 300.87433 176.3
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