CID 91752

Cadusafos

Structural Information

Molecular Formula

C₁₀H₂₃O₂PS₂

SMILES

CCC(C)SP(=O)(OCC)SC(C)CC

InChI

InChI=1S/C10H23O2PS2/c1-6-9(4)14-13(11,12-8-3)15-10(5)7-2/h9-10H,6-8H2,1-5H3

InChIKey

KXRPCFINVWWFHQ-UHFFFAOYSA-N

Compound name

2-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylbutane

Related CIDs

2D Structure

compound 2d structure

9
Annotation Hits: 28
References: 25251
Patents: 270.0877 Da
Monoisotopic Mass: 3.3
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]+	271.09498	159.5
[M+Na]+	293.07692	164.0
[M-H]-	269.08042	157.9
[M+NH4]+	288.12152	177.1
[M+K]+	309.05086	161.6
[M+H-H2O]+	253.08496	151.1
[M+HCOO]-	315.08590	173.6
[M+CH3COO]-	329.10155	199.5
[M+Na-2H]-	291.06237	154.6
[M]+	270.08715	166.4
[M]-	270.08825	166.4

Literature stripe

literature stripe

Patent stripe

patents stripe