CID 137225

4-nitrodiphenylmethane

Structural Information

Molecular Formula

C₁₃H₁₁NO₂

SMILES

C1=CC=C(C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO2/c15-14(16)13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h1-9H,10H2

InChIKey

IDSGFSCSMXRJON-UHFFFAOYSA-N

Compound name

1-benzyl-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 335
Patents: 213.07898 Da
Monoisotopic Mass: 4.1
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]+	214.08626	145.0
[M+Na]+	236.06820	161.1
[M+NH4]+	231.11280	154.7
[M+K]+	252.04214	155.2
[M-H]-	212.07170	151.7
[M+Na-2H]-	234.05365	155.6
[M]+	213.07843	149.3
[M]-	213.07953	149.3

Literature stripe

literature stripe

Patent stripe

patents stripe