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]+ 326.97173 157.1
[M+Na]+ 348.95367 165.4
[M-H]- 324.95717 156.5
[M+NH4]+ 343.99827 173.9
[M+K]+ 364.92761 162.9
[M+H-H2O]+ 308.96171 154.2
[M+HCOO]- 370.96265 167.0
[M+CH3COO]- 384.97830 203.4
[M+Na-2H]- 346.93912 158.1
[M]+ 325.96390 166.7
[M]- 325.96500 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.