CID 22558937

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

Structural Information

Molecular Formula
C9H8BrN
SMILES
CN1C=CC2=C1C=CC=C2Br
InChI
InChI=1S/C9H8BrN/c1-11-6-5-7-8(10)3-2-4-9(7)11/h2-6H,1H3
InChIKey
JZOSXTYDJPHXQD-UHFFFAOYSA-N
Compound name
4-bromo-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

181
Patents

208.98401 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 135.7
[M+Na]+ 231.97323 150.6
[M-H]- 207.97673 142.7
[M+NH4]+ 227.01783 160.4
[M+K]+ 247.94717 139.5
[M+H-H2O]+ 191.98127 136.4
[M+HCOO]- 253.98221 158.7
[M+CH3COO]- 267.99786 152.7
[M+Na-2H]- 229.95868 145.0
[M]+ 208.98346 156.5
[M]- 208.98456 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