CID 79899

Bayer 18341

Structural Information

Molecular Formula
C11H16ClO2PS2
SMILES
CCOP(=S)(OCC)SCC1=CC=C(C=C1)Cl
InChI
InChI=1S/C11H16ClO2PS2/c1-3-13-15(16,14-4-2)17-9-10-5-7-11(12)8-6-10/h5-8H,3-4,9H2,1-2H3
InChIKey
VHKRBADFIQTUFN-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)methylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.0018 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.00908 164.0
[M+Na]+ 332.99102 175.1
[M+NH4]+ 328.03562 172.4
[M+K]+ 348.96496 164.6
[M-H]- 308.99452 165.4
[M+Na-2H]- 330.97647 168.3
[M]+ 310.00125 167.2
[M]- 310.00235 167.2
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.