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

9
Annotation Hits: 158
References: 40681
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	150.1
[M+Na]+	283.00204	155.9
[M-H]-	259.00554	148.1
[M+NH4]+	278.04664	167.6
[M+K]+	298.97598	151.0
[M+H-H2O]+	243.01008	141.4
[M+HCOO]-	305.01102	161.3
[M+CH3COO]-	319.02667	194.8
[M+Na-2H]-	280.98749	147.2
[M]+	260.01227	155.5
[M]-	260.01337	155.5

Literature stripe

literature stripe

Patent stripe

patents stripe