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 160.0
[M+Na]+ 332.99102 167.8
[M-H]- 308.99452 162.6
[M+NH4]+ 328.03562 177.2
[M+K]+ 348.96496 162.1
[M+H-H2O]+ 292.99906 152.4
[M+HCOO]- 355.00000 173.5
[M+CH3COO]- 369.01565 201.0
[M+Na-2H]- 330.97647 158.5
[M]+ 310.00125 168.0
[M]- 310.00235 168.0
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.