CID 24905

5-bromoindole

Structural Information

Molecular Formula
C8H6BrN
SMILES
C1=CC2=C(C=CN2)C=C1Br
InChI
InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H
InChIKey
VXWVFZFZYXOBTA-UHFFFAOYSA-N
Compound name
5-bromo-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

5219
Patents

194.96835 Da
Monoisotopic Mass

3.0
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