CID 623771

5,7-dibromo-1h-indole

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

48
Patents

272.87888 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.88616 148.6
[M+Na]+ 295.86810 144.5
[M+NH4]+ 290.91270 151.2
[M+K]+ 311.84204 150.9
[M-H]- 271.87160 149.3
[M+Na-2H]- 293.85355 150.1
[M]+ 272.87833 147.1
[M]- 272.87943 147.1
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