CID 74386

1713-97-9

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

313.95224 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.95952 155.0
[M+Na]+ 336.94146 163.4
[M-H]- 312.94496 157.8
[M+NH4]+ 331.98606 172.7
[M+K]+ 352.91540 156.9
[M+H-H2O]+ 296.94950 149.1
[M+HCOO]- 358.95044 162.8
[M+CH3COO]- 372.96609 201.2
[M+Na-2H]- 334.92691 152.6
[M]+ 313.95169 161.7
[M]- 313.95279 161.7
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