CID 18127

2984-64-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

91
Patents

279.9912 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.99848 152.2
[M+Na]+ 302.98042 160.8
[M-H]- 278.98392 155.1
[M+NH4]+ 298.02502 170.8
[M+K]+ 318.95436 154.8
[M+H-H2O]+ 262.98846 145.0
[M+HCOO]- 324.98940 165.8
[M+CH3COO]- 339.00505 196.2
[M+Na-2H]- 300.96587 150.9
[M]+ 279.99065 158.5
[M]- 279.99175 158.5
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.