CID 53756796

7560-36-3

Structural Information

Molecular Formula
C14H10BrNO2
SMILES
C1=CC(=CC=C1C=CC2=CC=C(C=C2)Br)[N+](=O)[O-]
InChI
InChI=1S/C14H10BrNO2/c15-13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)16(17)18/h1-10H
InChIKey
DFAOJKUHONBIMN-UHFFFAOYSA-N
Compound name
1-[2-(4-bromophenyl)ethenyl]-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

302.9895 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.99678 162.2
[M+Na]+ 325.97872 172.2
[M-H]- 301.98222 171.3
[M+NH4]+ 321.02332 180.0
[M+K]+ 341.95266 156.0
[M+H-H2O]+ 285.98676 165.0
[M+HCOO]- 347.98770 185.0
[M+CH3COO]- 362.00335 194.0
[M+Na-2H]- 323.96417 169.9
[M]+ 302.98895 179.5
[M]- 302.99005 179.5
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.