CID 74387

1713-98-0

Structural Information

Molecular Formula
C10H13Cl2OPS2
SMILES
CCCOP(=S)(CCl)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13Cl2OPS2/c1-2-7-13-14(15,8-11)16-10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChIKey
SBZAUEKBWDRPRQ-UHFFFAOYSA-N
Compound name
chloromethyl-(4-chlorophenyl)sulfanyl-propoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.95224 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.95952 156.1
[M+Na]+ 336.94146 164.8
[M-H]- 312.94496 158.8
[M+NH4]+ 331.98606 173.8
[M+K]+ 352.91540 157.8
[M+H-H2O]+ 296.94950 149.9
[M+HCOO]- 358.95044 164.8
[M+CH3COO]- 372.96609 200.5
[M+Na-2H]- 334.92691 154.4
[M]+ 313.95169 163.1
[M]- 313.95279 163.1
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.