CID 14229370

Phosphorodichloridothioic acid, o-(1,2,2,2-tetrachloroethyl) ester

Structural Information

Molecular Formula
C2HCl6OPS
SMILES
C(C(Cl)(Cl)Cl)(OP(=S)(Cl)Cl)Cl
InChI
InChI=1S/C2HCl6OPS/c3-1(2(4,5)6)9-10(7,8)11/h1H
InChIKey
WGKIOBDUFNEQEA-UHFFFAOYSA-N
Compound name
dichloro-sulfanylidene-(1,2,2,2-tetrachloroethoxy)-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

313.7617 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.76898 155.7
[M+Na]+ 336.75092 162.2
[M-H]- 312.75442 151.0
[M+NH4]+ 331.79552 170.0
[M+K]+ 352.72486 158.8
[M+H-H2O]+ 296.75896 154.0
[M+HCOO]- 358.75990 146.4
[M+CH3COO]- 372.77555 202.2
[M+Na-2H]- 334.73637 152.2
[M]+ 313.76115 153.4
[M]- 313.76225 153.4
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

patents stripe