CID 117776829

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

228.9294 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.93668 137.6
[M+Na]+ 251.91862 153.4
[M-H]- 227.92212 143.2
[M+NH4]+ 246.96322 161.7
[M+K]+ 267.89256 139.7
[M+H-H2O]+ 211.92666 139.1
[M+HCOO]- 273.92760 155.0
[M+CH3COO]- 287.94325 154.0
[M+Na-2H]- 249.90407 146.5
[M]+ 228.92885 158.0
[M]- 228.92995 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