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: 150
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]+	242.081176	152.4
[M+Na]+	264.063118	159.2
[M-H]-	240.066624	158.0
[M+NH4]+	259.107723	168.2
[M+K]+	280.037058	150.7
[M+H-H2O]+	224.071160	149.7
[M+HCOO]-	286.072101	176.7
[M+CH3COO]-	300.087751	183.5
[M+Na-2H]-	262.048566	159.4
[M]+	241.07335142	149.9
[M]-	241.07444858	149.9

Literature stripe

literature stripe

Patent stripe

patents stripe