CID 84613

Geigy g-32500

Structural Information

Molecular Formula
C11H15Cl2O3PS2
SMILES
CCOP(=O)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl
InChI
InChI=1S/C11H15Cl2O3PS2/c1-3-15-17(14,16-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3
InChIKey
XMAFPZUDTPVTRC-UHFFFAOYSA-N
Compound name
1,4-dichloro-2-(diethoxyphosphorylsulfanylmethylsulfanyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.95773 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.96501 174.8
[M+Na]+ 382.94695 186.1
[M+NH4]+ 377.99155 182.5
[M+K]+ 398.92089 175.7
[M-H]- 358.95045 175.5
[M+Na-2H]- 380.93240 178.3
[M]+ 359.95718 178.0
[M]- 359.95828 178.0
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.