CID 40617

53102-27-5

Structural Information

Molecular Formula
C10H18Cl3O5P
SMILES
CCCC(=O)OC(C(Cl)(Cl)Cl)P(=O)(OCC)OCC
InChI
InChI=1S/C10H18Cl3O5P/c1-4-7-8(14)18-9(10(11,12)13)19(15,16-5-2)17-6-3/h9H,4-7H2,1-3H3
InChIKey
UYHPGYBTGRRYTM-UHFFFAOYSA-N
Compound name
(2,2,2-trichloro-1-diethoxyphosphorylethyl) butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.99576 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00304 168.6
[M+Na]+ 376.98498 176.3
[M-H]- 352.98848 167.5
[M+NH4]+ 372.02958 184.3
[M+K]+ 392.95892 172.9
[M+H-H2O]+ 336.99302 165.0
[M+HCOO]- 398.99396 178.6
[M+CH3COO]- 413.00961 208.2
[M+Na-2H]- 374.97043 169.4
[M]+ 353.99521 179.4
[M]- 353.99631 179.4
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.