CID 200833

Stauffer r 2371

Structural Information

Molecular Formula
C17H19Cl2O2PS2
SMILES
CCOP(=S)(OCC)SC(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H19Cl2O2PS2/c1-3-20-22(23,21-4-2)24-17(13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,17H,3-4H2,1-2H3
InChIKey
AFVJQGPFTWTKSA-UHFFFAOYSA-N
Compound name
bis(4-chlorophenyl)methylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.9941 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.00138 181.9
[M+Na]+ 442.98332 189.4
[M-H]- 418.98682 187.3
[M+NH4]+ 438.02792 195.2
[M+K]+ 458.95726 182.0
[M+H-H2O]+ 402.99136 174.1
[M+HCOO]- 464.99230 189.5
[M+CH3COO]- 479.00795 219.9
[M+Na-2H]- 440.96877 178.8
[M]+ 419.99355 190.5
[M]- 419.99465 190.5
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.