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

4394
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 167.5
[M+Na]+ 390.97872 174.0
[M-H]- 366.98222 169.3
[M+NH4]+ 386.02332 183.0
[M+K]+ 406.95266 166.9
[M+H-H2O]+ 350.98676 160.4
[M+HCOO]- 412.98770 172.4
[M+CH3COO]- 427.00335 210.9
[M+Na-2H]- 388.96417 166.6
[M]+ 367.98895 171.9
[M]- 367.99005 171.9
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