CID 6387101

1-(2-bromo-vinyl)-4-nitro-benzene

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
C1=CC(=CC=C1/C=C/Br)[N+](=O)[O-]
InChI
InChI=1S/C8H6BrNO2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-6H/b6-5+
InChIKey
WUOJWZYDGWRQLI-AATRIKPKSA-N
Compound name
1-[(E)-2-bromoethenyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

226.95819 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.965466 140.6
[M+Na]+ 249.947408 151.7
[M-H]- 225.950914 147.1
[M+NH4]+ 244.992013 161.7
[M+K]+ 265.921348 136.8
[M+H-H2O]+ 209.955450 144.9
[M+HCOO]- 271.956391 164.2
[M+CH3COO]- 285.972041 179.9
[M+Na-2H]- 247.932856 149.9
[M]+ 226.95764142 158.1
[M]- 226.95873858 158.1
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.