CID 76329

O-methyl s-phenyl methylphosphonodithioate

Structural Information

Molecular Formula

C₈H₁₁OPS₂

SMILES

COP(=S)(C)SC1=CC=CC=C1

InChI

InChI=1S/C8H11OPS2/c1-9-10(2,11)12-8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

PVYWTIYKBRDJCB-UHFFFAOYSA-N

Compound name

methoxy-methyl-phenylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 217.9989 Da
Monoisotopic Mass: 3.1
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]+	219.00618	140.3
[M+Na]+	240.98812	148.3
[M-H]-	216.99162	142.8
[M+NH4]+	236.03272	160.1
[M+K]+	256.96206	144.4
[M+H-H2O]+	200.99616	132.1
[M+HCOO]-	262.99710	158.9
[M+CH3COO]-	277.01275	185.5
[M+Na-2H]-	238.97357	140.4
[M]+	217.99835	143.7
[M]-	217.99945	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe