CID 18752873

7-bromo-4-chloro-1h-indole

Structural Information

Molecular Formula
C8H5BrClN
SMILES
C1=CC(=C2C(=C1Cl)C=CN2)Br
InChI
InChI=1S/C8H5BrClN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H
InChIKey
ZFBAFEMIPJPWPF-UHFFFAOYSA-N
Compound name
7-bromo-4-chloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

228.9294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.936676 137.6
[M+Na]+ 251.918618 153.4
[M-H]- 227.922124 143.2
[M+NH4]+ 246.963223 161.7
[M+K]+ 267.892558 139.7
[M+H-H2O]+ 211.926660 139.1
[M+HCOO]- 273.927601 155.0
[M+CH3COO]- 287.943251 154.0
[M+Na-2H]- 249.904066 146.5
[M]+ 228.92885142 158.0
[M]- 228.92994858 158.0
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