CID 107183

Dimethyl 1,2,2,2-tetrachloroethyl phosphate

Structural Information

Molecular Formula
C4H7Cl4O4P
SMILES
COP(=O)(OC)OC(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C4H7Cl4O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
InChIKey
KWIDLTWZQJKRFD-UHFFFAOYSA-N
Compound name
dimethyl 1,2,2,2-tetrachloroethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

289.8836 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.89088 147.4
[M+Na]+ 312.87282 156.8
[M-H]- 288.87632 145.6
[M+NH4]+ 307.91742 164.9
[M+K]+ 328.84676 153.6
[M+H-H2O]+ 272.88086 145.1
[M+HCOO]- 334.88180 153.8
[M+CH3COO]- 348.89745 196.1
[M+Na-2H]- 310.85827 150.4
[M]+ 289.88305 154.2
[M]- 289.88415 154.2
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