CID 623771

5,7-dibromoindole

Structural Information

Molecular Formula
C8H5Br2N
SMILES
C1=CNC2=C(C=C(C=C21)Br)Br
InChI
InChI=1S/C8H5Br2N/c9-6-3-5-1-2-11-8(5)7(10)4-6/h1-4,11H
InChIKey
JBAQNCIQGHTHGK-UHFFFAOYSA-N
Compound name
5,7-dibromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

272.87888 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.886156 136.7
[M+Na]+ 295.868098 149.9
[M-H]- 271.871604 143.0
[M+NH4]+ 290.912703 157.9
[M+K]+ 311.842038 134.4
[M+H-H2O]+ 255.876140 145.8
[M+HCOO]- 317.877081 153.4
[M+CH3COO]- 331.892731 151.9
[M+Na-2H]- 293.853546 145.4
[M]+ 272.87833142 170.8
[M]- 272.87942858 170.8
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