CID 78791

S-(4-chlorophenyl) o,o-dimethyl phosphorodithioate

Structural Information

Molecular Formula
C8H10ClO2PS2
SMILES
COP(=S)(OC)SC1=CC=C(C=C1)Cl
InChI
InChI=1S/C8H10ClO2PS2/c1-10-12(13,11-2)14-8-5-3-7(9)4-6-8/h3-6H,1-2H3
InChIKey
YLLXJRPQKHRNHV-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)sulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.95483 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.962106 146.7
[M+Na]+ 290.944048 155.8
[M-H]- 266.947554 149.9
[M+NH4]+ 285.988653 165.6
[M+K]+ 306.917988 150.9
[M+H-H2O]+ 250.952090 139.7
[M+HCOO]- 312.953031 161.2
[M+CH3COO]- 326.968681 192.2
[M+Na-2H]- 288.929496 146.6
[M]+ 267.95428142 153.7
[M]- 267.95537858 153.7
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

No patent data available for this compound.