CID 4790

Phorate

Structural Information

Molecular Formula

C₇H₁₇O₂PS₃

SMILES

CCOP(=S)(OCC)SCSCC

InChI

InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3

InChIKey

BULVZWIRKLYCBC-UHFFFAOYSA-N

Compound name

diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 158
References: 35822
Patents: 260.01282 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]+	261.02010	151.1
[M+Na]+	283.00204	157.9
[M+NH4]+	278.04664	158.6
[M+K]+	298.97598	148.3
[M-H]-	259.00554	150.0
[M+Na-2H]-	280.98749	151.0
[M]+	260.01227	152.9
[M]-	260.01337	152.9

Literature stripe

literature stripe

Patent stripe

patents stripe