CID 155649

O-(2,5-dichlorophenyl) o-propyl phenylphosphonothioate

Structural Information

Molecular Formula
C15H15Cl2O2PS
SMILES
CCCOP(=S)(C1=CC=CC=C1)OC2=C(C=CC(=C2)Cl)Cl
InChI
InChI=1S/C15H15Cl2O2PS/c1-2-10-18-20(21,13-6-4-3-5-7-13)19-15-11-12(16)8-9-14(15)17/h3-9,11H,2,10H2,1H3
InChIKey
DGNNWJWJDFYUFK-UHFFFAOYSA-N
Compound name
(2,5-dichlorophenoxy)-phenyl-propoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.99075 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.99803 177.8
[M+Na]+ 382.97997 192.8
[M+NH4]+ 378.02457 186.6
[M+K]+ 398.95391 182.0
[M-H]- 358.98347 181.6
[M+Na-2H]- 380.96542 185.9
[M]+ 359.99020 182.3
[M]- 359.99130 182.3
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.