CID 99092

15501-45-8

Structural Information

Molecular Formula
C4H9Cl2O4P
SMILES
COP(=O)(C(C(Cl)Cl)O)OC
InChI
InChI=1S/C4H9Cl2O4P/c1-9-11(8,10-2)4(7)3(5)6/h3-4,7H,1-2H3
InChIKey
SJZJHMWQLCCOOR-UHFFFAOYSA-N
Compound name
2,2-dichloro-1-dimethoxyphosphorylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.96155 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.968826 137.1
[M+Na]+ 244.950768 145.9
[M-H]- 220.954274 135.5
[M+NH4]+ 239.995373 156.9
[M+K]+ 260.924708 143.7
[M+H-H2O]+ 204.958810 133.4
[M+HCOO]- 266.959751 153.7
[M+CH3COO]- 280.975401 183.2
[M+Na-2H]- 242.936216 139.4
[M]+ 221.96100142 143.6
[M]- 221.96209858 143.6
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.