CID 3075713

198767-45-2

Structural Information

Molecular Formula

C₁₄H₁₂NO₂PS

SMILES

CN1C(=O)C2=CC=CC=C2OP1(=S)C3=CC=CC=C3

InChI

InChI=1S/C14H12NO2PS/c1-15-14(16)12-9-5-6-10-13(12)17-18(15,19)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

VTARSNLEVMUMIK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.03262 Da
Monoisotopic Mass: 4.0
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]+	290.039896	158.8
[M+Na]+	312.021838	168.5
[M-H]-	288.025344	165.0
[M+NH4]+	307.066443	175.9
[M+K]+	327.995778	165.0
[M+H-H2O]+	272.029880	148.7
[M+HCOO]-	334.030821	179.3
[M+CH3COO]-	348.046471	171.1
[M+Na-2H]-	310.007286	161.1
[M]+	289.03207142	160.7
[M]-	289.03316858	160.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.