CID 74673

Chemagro 4675

Structural Information

Molecular Formula
C4H8Cl3O3PS
SMILES
COP(=O)(OC)SCC(Cl)(Cl)Cl
InChI
InChI=1S/C4H8Cl3O3PS/c1-9-11(8,10-2)12-3-4(5,6)7/h3H2,1-2H3
InChIKey
GNKLHIRYOZCFMO-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-2-dimethoxyphosphorylsulfanylethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.89975 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.90703 145.7
[M+Na]+ 294.88897 155.0
[M-H]- 270.89247 145.4
[M+NH4]+ 289.93357 164.8
[M+K]+ 310.86291 151.2
[M+H-H2O]+ 254.89701 142.4
[M+HCOO]- 316.89795 153.6
[M+CH3COO]- 330.91360 191.1
[M+Na-2H]- 292.87442 147.7
[M]+ 271.89920 154.1
[M]- 271.90030 154.1
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.