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 173.1
[M+Na]+ 382.97997 182.4
[M-H]- 358.98347 178.9
[M+NH4]+ 378.02457 188.7
[M+K]+ 398.95391 175.6
[M+H-H2O]+ 342.98801 165.3
[M+HCOO]- 404.98895 187.2
[M+CH3COO]- 419.00460 209.4
[M+Na-2H]- 380.96542 172.7
[M]+ 359.99020 181.4
[M]- 359.99130 181.4
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.