CID 36870

Prothiofos

Structural Information

Molecular Formula

C₁₁H₁₅Cl₂O₂PS₂

SMILES

CCCSP(=S)(OCC)OC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3

InChIKey

FITIWKDOCAUBQD-UHFFFAOYSA-N

Compound name

(2,4-dichlorophenoxy)-ethoxy-propylsulfanyl-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 40
References: 28812
Patents: 343.96283 Da
Monoisotopic Mass: 4.9
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]+	344.97011	162.7
[M+Na]+	366.95205	171.4
[M-H]-	342.95555	165.5
[M+NH4]+	361.99665	179.3
[M+K]+	382.92599	164.8
[M+H-H2O]+	326.96009	156.5
[M+HCOO]-	388.96103	171.3
[M+CH3COO]-	402.97668	206.3
[M+Na-2H]-	364.93750	160.4
[M]+	343.96228	171.8
[M]-	343.96338	171.8

Literature stripe

literature stripe

Patent stripe

patents stripe