CID 91523

Oxydeprofos

Structural Information

Molecular Formula

C₇H₁₇O₄PS₂

SMILES

CCS(=O)CC(C)SP(=O)(OC)OC

InChI

InChI=1S/C7H17O4PS2/c1-5-14(9)6-7(2)13-12(8,10-3)11-4/h7H,5-6H2,1-4H3

InChIKey

JAYZFNIOOYPIAH-UHFFFAOYSA-N

Compound name

2-dimethoxyphosphorylsulfanyl-1-ethylsulfinylpropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 10468
Patents: 260.03058 Da
Monoisotopic Mass: -0.3
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]+	261.03786	152.0
[M+Na]+	283.01980	157.4
[M-H]-	259.02330	150.7
[M+NH4]+	278.06440	169.6
[M+K]+	298.99374	156.0
[M+H-H2O]+	243.02784	143.8
[M+HCOO]-	305.02878	167.6
[M+CH3COO]-	319.04443	193.7
[M+Na-2H]-	281.00525	149.0
[M]+	260.03003	159.8
[M]-	260.03113	159.8

Literature stripe

literature stripe

Patent stripe

patents stripe