CID 5003968

5-bromo-2-methylindole

Structural Information

Molecular Formula
C9H8BrN
SMILES
CC1=CC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C9H8BrN/c1-6-4-7-5-8(10)2-3-9(7)11-6/h2-5,11H,1H3
InChIKey
BJUZAZKEDCDGRW-UHFFFAOYSA-N
Compound name
5-bromo-2-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

423
Patents

208.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.991286 136.6
[M+Na]+ 231.973228 151.1
[M-H]- 207.976734 142.3
[M+NH4]+ 227.017833 160.6
[M+K]+ 247.947168 139.0
[M+H-H2O]+ 191.981270 137.5
[M+HCOO]- 253.982211 158.2
[M+CH3COO]- 267.997861 152.9
[M+Na-2H]- 229.958676 145.4
[M]+ 208.98346142 155.6
[M]- 208.98455858 155.6
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