CID 165540

O,o-dimethyl phenylphosphonothioate

Structural Information

Molecular Formula

C₈H₁₁O₂PS

SMILES

COP(=S)(C1=CC=CC=C1)OC

InChI

InChI=1S/C8H11O2PS/c1-9-11(12,10-2)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

ANZBDDNZDYFTOL-UHFFFAOYSA-N

Compound name

dimethoxy-phenyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 202.02174 Da
Monoisotopic Mass: 2.7
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]+	203.02902	140.5
[M+Na]+	225.01096	148.5
[M-H]-	201.01446	143.4
[M+NH4]+	220.05556	160.8
[M+K]+	240.98490	146.6
[M+H-H2O]+	185.01900	132.6
[M+HCOO]-	247.01994	164.8
[M+CH3COO]-	261.03559	182.7
[M+Na-2H]-	222.99641	142.9
[M]+	202.02119	145.0
[M]-	202.02229	145.0

Literature stripe

literature stripe

Patent stripe

patents stripe