CID 12266562

7560-36-3

Structural Information

Molecular Formula

C₁₄H₁₀BrNO₂

SMILES

C1=CC(=CC=C1/C=C/C2=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/b2-1+

InChIKey

DFAOJKUHONBIMN-OWOJBTEDSA-N

Compound name

1-[(E)-2-(4-bromophenyl)ethenyl]-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 302.9895 Da
Monoisotopic Mass: 4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	303.99678	160.1
[M+Na]+	325.97872	166.0
[M+NH4]+	321.02332	165.3
[M+K]+	341.95266	166.1
[M-H]-	301.98222	164.2
[M+Na-2H]-	323.96417	165.9
[M]+	302.98895	161.0
[M]-	302.99005	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe