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]+ 222.96883 137.1
[M+Na]+ 244.95077 145.9
[M-H]- 220.95427 135.5
[M+NH4]+ 239.99537 156.9
[M+K]+ 260.92471 143.7
[M+H-H2O]+ 204.95881 133.4
[M+HCOO]- 266.95975 153.7
[M+CH3COO]- 280.97540 183.2
[M+Na-2H]- 242.93622 139.4
[M]+ 221.96100 143.6
[M]- 221.96210 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.