CID 209116

Phosphonic acid, trichloroacetyl-, diethyl ester

Structural Information

Molecular Formula
C6H10Cl3O4P
SMILES
CCOP(=O)(C(=O)C(Cl)(Cl)Cl)OCC
InChI
InChI=1S/C6H10Cl3O4P/c1-3-12-14(11,13-4-2)5(10)6(7,8)9/h3-4H2,1-2H3
InChIKey
WDXGHPAMAUOFPM-UHFFFAOYSA-N
Compound name
2,2,2-trichloro-1-diethoxyphosphorylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.93823 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.94551 150.0
[M+Na]+ 304.92745 159.4
[M-H]- 280.93095 149.1
[M+NH4]+ 299.97205 168.3
[M+K]+ 320.90139 155.8
[M+H-H2O]+ 264.93549 146.9
[M+HCOO]- 326.93643 161.7
[M+CH3COO]- 340.95208 194.9
[M+Na-2H]- 302.91290 153.3
[M]+ 281.93768 158.3
[M]- 281.93878 158.3
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