CID 13230126

2-bromo-1-methyl-1h-indole

Structural Information

Molecular Formula
C9H8BrN
SMILES
CN1C2=CC=CC=C2C=C1Br
InChI
InChI=1S/C9H8BrN/c1-11-8-5-3-2-4-7(8)6-9(11)10/h2-6H,1H3
InChIKey
LWZBTVYFUVWJLB-UHFFFAOYSA-N
Compound name
2-bromo-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
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 135.7
[M+Na]+ 231.973228 150.6
[M-H]- 207.976734 142.7
[M+NH4]+ 227.017833 160.4
[M+K]+ 247.947168 139.5
[M+H-H2O]+ 191.981270 136.4
[M+HCOO]- 253.982211 158.7
[M+CH3COO]- 267.997861 152.7
[M+Na-2H]- 229.958676 145.0
[M]+ 208.98346142 156.5
[M]- 208.98455858 156.5
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