CID 76846546

7-bromo-6-methyl-1h-indole

Structural Information

Molecular Formula
C9H8BrN
SMILES
CC1=C(C2=C(C=C1)C=CN2)Br
InChI
InChI=1S/C9H8BrN/c1-6-2-3-7-4-5-11-9(7)8(6)10/h2-5,11H,1H3
InChIKey
ZATPLZLTXFQGNX-UHFFFAOYSA-N
Compound name
7-bromo-6-methyl-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

208.98401 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.99129 136.6
[M+Na]+ 231.97323 151.1
[M-H]- 207.97673 142.3
[M+NH4]+ 227.01783 160.6
[M+K]+ 247.94717 139.0
[M+H-H2O]+ 191.98127 137.5
[M+HCOO]- 253.98221 158.2
[M+CH3COO]- 267.99786 152.9
[M+Na-2H]- 229.95868 145.4
[M]+ 208.98346 155.6
[M]- 208.98456 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