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 156.6
[M+Na]+ 354.91564 166.0
[M-H]- 330.91914 159.8
[M+NH4]+ 349.96024 173.7
[M+K]+ 370.88958 160.4
[M+H-H2O]+ 314.92368 150.7
[M+HCOO]- 376.92462 166.2
[M+CH3COO]- 390.94027 202.5
[M+Na-2H]- 352.90109 155.7
[M]+ 331.92587 166.4
[M]- 331.92697 166.4
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.