CID 13081

Carbophenothion

Structural Information

Molecular Formula

C₁₁H₁₆ClO₂PS₃

SMILES

CCOP(=S)(OCC)SCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3

InChIKey

VEDTXTNSFWUXGQ-UHFFFAOYSA-N

Compound name

(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 16
References: 14559
Patents: 341.97385 Da
Monoisotopic Mass: 5.3
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]+	342.98113	163.1
[M+Na]+	364.96307	170.3
[M-H]-	340.96657	164.9
[M+NH4]+	360.00767	178.6
[M+K]+	380.93701	162.8
[M+H-H2O]+	324.97111	155.2
[M+HCOO]-	386.97205	171.0
[M+CH3COO]-	400.98770	206.0
[M+Na-2H]-	362.94852	161.0
[M]+	341.97330	169.5
[M]-	341.97440	169.5

Literature stripe

literature stripe

Patent stripe

patents stripe