CID 24832428

91674-71-4

Structural Information

Molecular Formula
C6H11Cl2O5P
SMILES
CCOP(=O)(OCC)OC(=O)C(Cl)Cl
InChI
InChI=1S/C6H11Cl2O5P/c1-3-11-14(10,12-4-2)13-6(9)5(7)8/h5H,3-4H2,1-2H3
InChIKey
UUTZHHSHLYPILJ-UHFFFAOYSA-N
Compound name
diethoxyphosphoryl 2,2-dichloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.9721 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.97938 146.2
[M+Na]+ 286.96132 155.0
[M-H]- 262.96482 145.8
[M+NH4]+ 282.00592 165.1
[M+K]+ 302.93526 153.2
[M+H-H2O]+ 246.96936 141.9
[M+HCOO]- 308.97030 164.2
[M+CH3COO]- 322.98595 192.0
[M+Na-2H]- 284.94677 148.4
[M]+ 263.97155 156.2
[M]- 263.97265 156.2
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

No patent data available for this compound.