CID 90113384

6-bromo-7-chloro-1h-indole

Structural Information

Molecular Formula
C8H5BrClN
SMILES
C1=CC(=C(C2=C1C=CN2)Cl)Br
InChI
InChI=1S/C8H5BrClN/c9-6-2-1-5-3-4-11-8(5)7(6)10/h1-4,11H
InChIKey
YVACBHRHOBDZIU-UHFFFAOYSA-N
Compound name
6-bromo-7-chloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
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

No literature data available for this compound.

Patent stripe

patents stripe