CID 2763277

3-bromo-1h-indole

Structural Information

Molecular Formula
C8H6BrN
SMILES
C1=CC=C2C(=C1)C(=CN2)Br
InChI
InChI=1S/C8H6BrN/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5,10H
InChIKey
YHIWBVHIGCRVLE-UHFFFAOYSA-N
Compound name
3-bromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

599
Patents

194.96835 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.97563 132.2
[M+Na]+ 217.95757 146.2
[M-H]- 193.96107 137.7
[M+NH4]+ 213.00217 156.4
[M+K]+ 233.93151 134.4
[M+H-H2O]+ 177.96561 133.1
[M+HCOO]- 239.96655 154.1
[M+CH3COO]- 253.98220 148.6
[M+Na-2H]- 215.94302 142.2
[M]+ 194.96780 150.5
[M]- 194.96890 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