CID 20453

4414-14-6

Structural Information

Molecular Formula
C8H14Cl3O5P
SMILES
CC(C)C(=O)OC(C(Cl)(Cl)Cl)P(=O)(OC)OC
InChI
InChI=1S/C8H14Cl3O5P/c1-5(2)6(12)16-7(8(9,10)11)17(13,14-3)15-4/h5,7H,1-4H3
InChIKey
QIXACPQPEUOETP-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-dimethoxyphosphorylethyl) 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.96445 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.971726 157.1
[M+Na]+ 348.953668 165.4
[M-H]- 324.957174 156.5
[M+NH4]+ 343.998273 173.9
[M+K]+ 364.927608 162.9
[M+H-H2O]+ 308.961710 154.2
[M+HCOO]- 370.962651 167.0
[M+CH3COO]- 384.978301 203.4
[M+Na-2H]- 346.939116 158.1
[M]+ 325.96390142 166.7
[M]- 325.96499858 166.7
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.