CID 218694

Dithicrofos

Structural Information

Molecular Formula
C13H18ClO2PS3
SMILES
CCOP(=S)(OCC)SC1CCSC2=C1C=C(C=C2)Cl
InChI
InChI=1S/C13H18ClO2PS3/c1-3-15-17(18,16-4-2)20-13-7-8-19-12-6-5-10(14)9-11(12)13/h5-6,9,13H,3-4,7-8H2,1-2H3
InChIKey
QNZZKGBRJAVCIQ-UHFFFAOYSA-N
Compound name
(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4150
Patents

367.9895 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.99678 169.2
[M+Na]+ 390.97872 179.3
[M+NH4]+ 386.02332 178.3
[M+K]+ 406.95266 167.5
[M-H]- 366.98222 171.3
[M+Na-2H]- 388.96417 172.4
[M]+ 367.98895 172.9
[M]- 367.99005 172.9
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

patents stripe