CID 76327

O-methyl s-(4-methylphenyl) ethylphosphonodithioate

Structural Information

Molecular Formula

C₁₀H₁₅OPS₂

SMILES

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

InChI

InChI=1S/C10H15OPS2/c1-4-12(13,11-3)14-10-7-5-9(2)6-8-10/h5-8H,4H2,1-3H3

InChIKey

ZFCPXXRQFQJJAA-UHFFFAOYSA-N

Compound name

ethyl-methoxy-(4-methylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 246.0302 Da
Monoisotopic Mass: 3.9
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]+	247.037476	148.2
[M+Na]+	269.019418	156.1
[M-H]-	245.022924	150.7
[M+NH4]+	264.064023	167.1
[M+K]+	284.993358	151.7
[M+H-H2O]+	229.027460	139.8
[M+HCOO]-	291.028401	166.1
[M+CH3COO]-	305.044051	192.5
[M+Na-2H]-	267.004866	146.9
[M]+	246.02965142	152.7
[M]-	246.03074858	152.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.