CID 247137

4'-nitro-2'-phenylacetanilide

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₃

SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C2=CC=CC=C2

InChI

InChI=1S/C14H12N2O3/c1-10(17)15-14-8-7-12(16(18)19)9-13(14)11-5-3-2-4-6-11/h2-9H,1H3,(H,15,17)

InChIKey

CKPJXYSLANVIEG-UHFFFAOYSA-N

Compound name

N-(4-nitro-2-phenylphenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 256.08478 Da
Monoisotopic Mass: 1.8
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]+	257.09206	155.7
[M+Na]+	279.07400	169.8
[M+NH4]+	274.11860	163.6
[M+K]+	295.04794	165.6
[M-H]-	255.07750	161.6
[M+Na-2H]-	277.05945	164.4
[M]+	256.08423	159.2
[M]-	256.08533	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe