CID 87160

17578-36-8

Structural Information

Molecular Formula
C9H11Cl2O3PS2
SMILES
COP(=O)(OC)SCSC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H11Cl2O3PS2/c1-13-15(12,14-2)17-6-16-9-5-7(10)3-4-8(9)11/h3-5H,6H2,1-2H3
InChIKey
XAMPFKFMGMGXEC-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(dimethoxyphosphorylsulfanylmethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.92642 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.93370 166.7
[M+Na]+ 354.91564 178.4
[M+NH4]+ 349.96024 174.7
[M+K]+ 370.88958 168.3
[M-H]- 330.91914 167.4
[M+Na-2H]- 352.90109 170.6
[M]+ 331.92587 170.0
[M]- 331.92697 170.0
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.