CID 759250

4-hydroxy-4'-nitrostilbene

Structural Information

Molecular Formula

C₁₄H₁₁NO₃

SMILES

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

InChI

InChI=1S/C14H11NO3/c16-14-9-5-12(6-10-14)2-1-11-3-7-13(8-4-11)15(17)18/h1-10,16H/b2-1+

InChIKey

OETQWIHJPIESQB-OWOJBTEDSA-N

Compound name

4-[(E)-2-(4-nitrophenyl)ethenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 104
Patents: 241.0739 Da
Monoisotopic Mass: 3.7
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]+	242.08118	152.2
[M+Na]+	264.06312	167.5
[M+NH4]+	259.10772	160.5
[M+K]+	280.03706	162.3
[M-H]-	240.06662	157.6
[M+Na-2H]-	262.04857	161.1
[M]+	241.07335	155.8
[M]-	241.07445	155.8

Literature stripe

literature stripe

Patent stripe

patents stripe