CID 6446857

Phosphoric acid, (2,2-dichloro-1-beta-chloroethoxyvinyl) diethyl ester

Structural Information

Molecular Formula
C10H18Cl3O5P
SMILES
CCOP(=O)(OCC)OC(/C=C/OCCCl)C(Cl)Cl
InChI
InChI=1S/C10H18Cl3O5P/c1-3-16-19(14,17-4-2)18-9(10(12)13)5-7-15-8-6-11/h5,7,9-10H,3-4,6,8H2,1-2H3/b7-5+
InChIKey
UDNDYKFSDVWPDW-FNORWQNLSA-N
Compound name
[(E)-1,1-dichloro-4-(2-chloroethoxy)but-3-en-2-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

353.99576 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.00304 168.4
[M+Na]+ 376.98498 175.7
[M-H]- 352.98848 166.7
[M+NH4]+ 372.02958 183.9
[M+K]+ 392.95892 171.8
[M+H-H2O]+ 336.99302 164.2
[M+HCOO]- 398.99396 179.9
[M+CH3COO]- 413.00961 208.5
[M+Na-2H]- 374.97043 168.0
[M]+ 353.99521 179.7
[M]- 353.99631 179.7
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

patents stripe