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
9
Annotation Hits

16
References

16197
Patents

341.97385 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.981126 163.1
[M+Na]+ 364.963068 170.3
[M-H]- 340.966574 164.9
[M+NH4]+ 360.007673 178.6
[M+K]+ 380.937008 162.8
[M+H-H2O]+ 324.971110 155.2
[M+HCOO]- 386.972051 171.0
[M+CH3COO]- 400.987701 206.0
[M+Na-2H]- 362.948516 161.0
[M]+ 341.97330142 169.5
[M]- 341.97439858 169.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe