CID 84613

Geigy g-32500

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂O₃PS₂

SMILES

CCOP(=O)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C11H15Cl2O3PS2/c1-3-15-17(14,16-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3

InChIKey

XMAFPZUDTPVTRC-UHFFFAOYSA-N

Compound name

1,4-dichloro-2-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 359.95773 Da
Monoisotopic Mass: 4.2
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]+	360.965006	165.4
[M+Na]+	382.946948	173.8
[M-H]-	358.950454	168.2
[M+NH4]+	377.991553	181.3
[M+K]+	398.920888	167.8
[M+H-H2O]+	342.954990	159.0
[M+HCOO]-	404.955931	174.3
[M+CH3COO]-	418.971581	208.2
[M+Na-2H]-	380.932396	163.6
[M]+	359.95718142	175.9
[M]-	359.95827858	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.