CID 18752862

7-bromo-4-methyl-1h-indole

Structural Information

Molecular Formula
C9H8BrN
SMILES
CC1=C2C=CNC2=C(C=C1)Br
InChI
InChI=1S/C9H8BrN/c1-6-2-3-8(10)9-7(6)4-5-11-9/h2-5,11H,1H3
InChIKey
SJOBFYZCJCKOAF-UHFFFAOYSA-N
Compound name
7-bromo-4-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

91
Patents

208.98401 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

patents stripe