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]+ 280.99848 151.3
[M+Na]+ 302.98042 160.6
[M-H]- 278.98392 154.5
[M+NH4]+ 298.02502 170.1
[M+K]+ 318.95436 154.7
[M+H-H2O]+ 262.98846 144.3
[M+HCOO]- 324.98940 164.8
[M+CH3COO]- 339.00505 197.3
[M+Na-2H]- 300.96587 149.4
[M]+ 279.99065 158.0
[M]- 279.99175 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.