CID 13357736

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

Structural Information

Molecular Formula
C9H8BrN
SMILES
CN1C=C(C2=CC=CC=C21)Br
InChI
InChI=1S/C9H8BrN/c1-11-6-8(10)7-4-2-3-5-9(7)11/h2-6H,1H3
InChIKey
SAYZMFSSIBFGNW-UHFFFAOYSA-N
Compound name
3-bromo-1-methylindole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

208.98401 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 137.4
[M+Na]+ 231.97323 142.8
[M+NH4]+ 227.01783 143.7
[M+K]+ 247.94717 142.8
[M-H]- 207.97673 138.7
[M+Na-2H]- 229.95868 141.9
[M]+ 208.98346 137.5
[M]- 208.98456 137.5
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