CID 23555

Bromonitrostyrene

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=CC=C(C=C1)C=C([N+](=O)[O-])Br
InChI
InChI=1S/C8H6BrNO2/c9-8(10(11)12)6-7-4-2-1-3-5-7/h1-6H
InChIKey
SKDNDVDHYMEGNJ-UHFFFAOYSA-N
Compound name
(2-bromo-2-nitroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

1680
Patents

226.95819 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 140.2
[M+Na]+ 249.94741 143.9
[M+NH4]+ 244.99201 145.1
[M+K]+ 265.92135 146.0
[M-H]- 225.95091 141.8
[M+Na-2H]- 247.93286 144.0
[M]+ 226.95764 139.9
[M]- 226.95874 139.9
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