CID 74749

1942-80-9

Structural Information

Molecular Formula
C10H14ClOPS2
SMILES
CCP(=S)(OC)SC1=CC(=C(C=C1)Cl)C
InChI
InChI=1S/C10H14ClOPS2/c1-4-13(14,12-3)15-9-5-6-10(11)8(2)7-9/h5-7H,4H2,1-3H3
InChIKey
CDXWKKIJUWRLEM-UHFFFAOYSA-N
Compound name
(4-chloro-3-methylphenyl)sulfanyl-ethyl-methoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9912 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.998476 151.3
[M+Na]+ 302.980418 160.6
[M-H]- 278.983924 154.5
[M+NH4]+ 298.025023 170.1
[M+K]+ 318.954358 154.7
[M+H-H2O]+ 262.988460 144.3
[M+HCOO]- 324.989401 164.8
[M+CH3COO]- 339.005051 197.3
[M+Na-2H]- 300.965866 149.4
[M]+ 279.99065142 158.0
[M]- 279.99174858 158.0
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.