CID 2757020

7-bromoindole

Structural Information

Molecular Formula
C8H6BrN
SMILES
C1=CC2=C(C(=C1)Br)NC=C2
InChI
InChI=1S/C8H6BrN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
RDSVSEFWZUWZHW-UHFFFAOYSA-N
Compound name
7-bromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1501
Patents

194.96835 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.975626 132.2
[M+Na]+ 217.957568 146.2
[M-H]- 193.961074 137.7
[M+NH4]+ 213.002173 156.4
[M+K]+ 233.931508 134.4
[M+H-H2O]+ 177.965610 133.1
[M+HCOO]- 239.966551 154.1
[M+CH3COO]- 253.982201 148.6
[M+Na-2H]- 215.943016 142.2
[M]+ 194.96780142 150.5
[M]- 194.96889858 150.5
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