CID 639659

4-nitrostilbene

Structural Information

Molecular Formula

C₁₄H₁₁NO₂

SMILES

C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO2/c16-15(17)14-10-8-13(9-11-14)7-6-12-4-2-1-3-5-12/h1-11H/b7-6+

InChIKey

ZISCOWXWCHUSMH-VOTSOKGWSA-N

Compound name

1-nitro-4-[(E)-2-phenylethenyl]benzene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 550
Patents: 225.07898 Da
Monoisotopic Mass: 4.5
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]+	226.08626	149.6
[M+Na]+	248.06820	156.0
[M-H]-	224.07170	156.2
[M+NH4]+	243.11280	166.5
[M+K]+	264.04214	147.9
[M+H-H2O]+	208.07624	146.7
[M+HCOO]-	270.07718	175.2
[M+CH3COO]-	284.09283	183.1
[M+Na-2H]-	246.05365	157.5
[M]+	225.07843	147.2
[M]-	225.07953	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe