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

5240
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.