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 165.4
[M+Na]+ 382.94695 173.8
[M-H]- 358.95045 168.2
[M+NH4]+ 377.99155 181.3
[M+K]+ 398.92089 167.8
[M+H-H2O]+ 342.95499 159.0
[M+HCOO]- 404.95593 174.3
[M+CH3COO]- 418.97158 208.2
[M+Na-2H]- 380.93240 163.6
[M]+ 359.95718 175.9
[M]- 359.95828 175.9
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.