CID 17424

Phorate sulfoxide

Structural Information

Molecular Formula

C₇H₁₇O₃PS₃

SMILES

CCOP(=S)(OCC)SCS(=O)CC

InChI

InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3

InChIKey

XRQHTUDGPWMPKX-UHFFFAOYSA-N

Compound name

diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 2
References: 68
Patents: 276.00775 Da
Monoisotopic Mass: 3.5
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]+	277.01503	154.7
[M+Na]+	298.99697	160.7
[M+NH4]+	294.04157	161.2
[M+K]+	314.97091	152.2
[M-H]-	275.00047	152.6
[M+Na-2H]-	296.98242	153.9
[M]+	276.00720	156.0
[M]-	276.00830	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe