CID 204085

63869-33-0

Structural Information

Molecular Formula
C10H13Cl2OPS2
SMILES
CCCSP(=S)(C)OC1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C10H13Cl2OPS2/c1-3-6-16-14(2,15)13-10-5-4-8(11)7-9(10)12/h4-5,7H,3,6H2,1-2H3
InChIKey
IQSDVQKBPXIRGI-UHFFFAOYSA-N
Compound name
(2,4-dichlorophenoxy)-methyl-propylsulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.95224 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.95952 155.4
[M+Na]+ 336.94146 164.8
[M-H]- 312.94496 158.4
[M+NH4]+ 331.98606 173.3
[M+K]+ 352.91540 157.9
[M+H-H2O]+ 296.94950 149.5
[M+HCOO]- 358.95044 164.0
[M+CH3COO]- 372.96609 201.6
[M+Na-2H]- 334.92691 153.2
[M]+ 313.95169 162.8
[M]- 313.95279 162.8
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