CID 723722

Mls003115078

Structural Information

Molecular Formula

C₁₅H₁₁NO₄

SMILES

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

InChI

InChI=1S/C15H11NO4/c17-15(18)14(12-6-2-1-3-7-12)10-11-5-4-8-13(9-11)16(19)20/h1-10H,(H,17,18)/b14-10-

InChIKey

AWELCBAXCALMIX-UVTDQMKNSA-N

Compound name

(Z)-3-(3-nitrophenyl)-2-phenylprop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 269.06882 Da
Monoisotopic Mass: 3.3
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]+	270.076096	158.9
[M+Na]+	292.058038	163.8
[M-H]-	268.061544	164.0
[M+NH4]+	287.102643	172.8
[M+K]+	308.031978	156.1
[M+H-H2O]+	252.066080	155.9
[M+HCOO]-	314.067021	181.3
[M+CH3COO]-	328.082671	188.0
[M+Na-2H]-	290.043486	163.8
[M]+	269.06827142	155.7
[M]-	269.06936858	155.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe