CID 53402958

6-bromo-3-methyl-1h-indole

Structural Information

Molecular Formula
C9H8BrN
SMILES
CC1=CNC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H8BrN/c1-6-5-11-9-4-7(10)2-3-8(6)9/h2-5,11H,1H3
InChIKey
LJFVGMUBSYLFLX-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

178
Patents

208.98401 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 138.4
[M+Na]+ 231.97323 143.3
[M+NH4]+ 227.01783 144.4
[M+K]+ 247.94717 143.5
[M-H]- 207.97673 139.2
[M+Na-2H]- 229.95868 142.4
[M]+ 208.98346 138.2
[M]- 208.98456 138.2
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