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 164.8
[M+Na]+ 336.94146 177.0
[M+NH4]+ 331.98606 173.8
[M+K]+ 352.91540 165.5
[M-H]- 312.94496 166.5
[M+Na-2H]- 334.92691 169.4
[M]+ 313.95169 168.5
[M]- 313.95279 168.5
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.