CID 24729504

7-bromo-5-chloro-1h-indole

Structural Information

Molecular Formula
C8H5BrClN
SMILES
C1=CNC2=C(C=C(C=C21)Cl)Br
InChI
InChI=1S/C8H5BrClN/c9-7-4-6(10)3-5-1-2-11-8(5)7/h1-4,11H
InChIKey
CBQDZTGRYHTJRO-UHFFFAOYSA-N
Compound name
7-bromo-5-chloro-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

116
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 140.3
[M+Na]+ 251.91862 146.2
[M+NH4]+ 246.96322 146.7
[M+K]+ 267.89256 145.7
[M-H]- 227.92212 141.2
[M+Na-2H]- 249.90407 144.5
[M]+ 228.92885 140.6
[M]- 228.92995 140.6
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