CID 102355

O-methyl s-phenyl ethylphosphonodithioate

Structural Information

Molecular Formula

C₉H₁₃OPS₂

SMILES

CCP(=S)(OC)SC1=CC=CC=C1

InChI

InChI=1S/C9H13OPS2/c1-3-11(12,10-2)13-9-7-5-4-6-8-9/h4-8H,3H2,1-2H3

InChIKey

BFHXKSJAKWIQQW-UHFFFAOYSA-N

Compound name

ethyl-methoxy-phenylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 232.01454 Da
Monoisotopic Mass: 3.6
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]+	233.021816	144.7
[M+Na]+	255.003758	152.3
[M-H]-	231.007264	147.1
[M+NH4]+	250.048363	163.9
[M+K]+	270.977698	148.1
[M+H-H2O]+	215.011800	136.3
[M+HCOO]-	277.012741	163.0
[M+CH3COO]-	291.028391	188.5
[M+Na-2H]-	252.989206	144.4
[M]+	232.01399142	148.5
[M]-	232.01508858	148.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe