CID 78791

5114-31-8

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]+ 268.96211 146.7
[M+Na]+ 290.94405 155.8
[M-H]- 266.94755 149.9
[M+NH4]+ 285.98865 165.6
[M+K]+ 306.91799 150.9
[M+H-H2O]+ 250.95209 139.7
[M+HCOO]- 312.95303 161.2
[M+CH3COO]- 326.96868 192.2
[M+Na-2H]- 288.92950 146.6
[M]+ 267.95428 153.7
[M]- 267.95538 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.