CID 78438

Benzenephosphonanilide

Structural Information

Molecular Formula

C₁₈H₁₇N₂OP

SMILES

C1=CC=C(C=C1)NP(=O)(C2=CC=CC=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H17N2OP/c21-22(18-14-8-3-9-15-18,19-16-10-4-1-5-11-16)20-17-12-6-2-7-13-17/h1-15H,(H2,19,20,21)

InChIKey

QXKWWWLBIJJKTJ-UHFFFAOYSA-N

Compound name

N-[anilino(phenyl)phosphoryl]aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 308.10785 Da
Monoisotopic Mass: 4.7
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]+	309.11513	174.5
[M+Na]+	331.09707	188.3
[M+NH4]+	326.14167	182.9
[M+K]+	347.07101	179.5
[M-H]-	307.10057	182.0
[M+Na-2H]-	329.08252	186.8
[M]+	308.10730	178.6
[M]-	308.10840	178.6

Literature stripe

literature stripe

Patent stripe

patents stripe