CID 90502

24441-47-2

Structural Information

Molecular Formula
C10H14ClOPS2
SMILES
CCOP(=S)(CCl)SC1=CC=C(C=C1)C
InChI
InChI=1S/C10H14ClOPS2/c1-3-12-13(14,8-11)15-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
InChIKey
KSILONBFKOHCMN-UHFFFAOYSA-N
Compound name
chloromethyl-ethoxy-(4-methylphenyl)sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.9912 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.998476 152.2
[M+Na]+ 302.980418 160.8
[M-H]- 278.983924 155.1
[M+NH4]+ 298.025023 170.8
[M+K]+ 318.954358 154.8
[M+H-H2O]+ 262.988460 145.0
[M+HCOO]- 324.989401 165.8
[M+CH3COO]- 339.005051 196.2
[M+Na-2H]- 300.965866 150.9
[M]+ 279.99065142 158.5
[M]- 279.99174858 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.