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

16114
Patents

341.97385 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.