CID 3075714

198767-46-3

Structural Information

Molecular Formula

C₁₅H₁₄NO₂PS

SMILES

CCN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3

InChI

InChI=1S/C15H14NO2PS/c1-2-16-15(17)13-10-6-7-11-14(13)18-19(16,20)12-8-4-3-5-9-12/h3-11H,2H2,1H3

InChIKey

XEHNVPKEBQCTLE-UHFFFAOYSA-N

Compound name

3-ethyl-2-phenyl-2-sulfanylidene-1,3,2lambda5-benzoxazaphosphinin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 303.04828 Da
Monoisotopic Mass: 4.3
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]+	304.055556	163.4
[M+Na]+	326.037498	172.6
[M-H]-	302.041004	169.3
[M+NH4]+	321.082103	179.9
[M+K]+	342.011438	168.9
[M+H-H2O]+	286.045540	153.1
[M+HCOO]-	348.046481	183.5
[M+CH3COO]-	362.062131	202.1
[M+Na-2H]-	324.022946	165.2
[M]+	303.04773142	165.6
[M]-	303.04882858	165.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.