CID 42450

3-nitro-2-phenyl-2h-chromene

Structural Information

Molecular Formula

C₁₅H₁₁NO₃

SMILES

C1=CC=C(C=C1)C2C(=CC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C15H11NO3/c17-16(18)13-10-12-8-4-5-9-14(12)19-15(13)11-6-2-1-3-7-11/h1-10,15H

InChIKey

ULXCGRAUCRLSRG-UHFFFAOYSA-N

Compound name

3-nitro-2-phenyl-2H-chromene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 253.0739 Da
Monoisotopic Mass: 3.5
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]+	254.08118	153.0
[M+Na]+	276.06312	169.9
[M+NH4]+	271.10772	162.8
[M+K]+	292.03706	164.3
[M-H]-	252.06662	161.5
[M+Na-2H]-	274.04857	162.5
[M]+	253.07335	158.0
[M]-	253.07445	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe