CID 3057167

Phosphoric acid, 1,3-dichloro-1-diethoxyphosphinyl-1,3-difluoroprop-2-en-2-yl diethyl ester

Structural Information

Molecular Formula
C11H20Cl2F2O7P2
SMILES
CCOP(=O)(C(/C(=C(\F)/Cl)/OP(=O)(OCC)OCC)(F)Cl)OCC
InChI
InChI=1S/C11H20Cl2F2O7P2/c1-5-18-23(16,19-6-2)11(13,15)9(10(12)14)22-24(17,20-7-3)21-8-4/h5-8H2,1-4H3/b10-9+
InChIKey
QUFZZVWKOAORCQ-MDZDMXLPSA-N
Compound name
[(Z)-1,3-dichloro-3-diethoxyphosphoryl-1,3-difluoroprop-1-en-2-yl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.00293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.01021 188.0
[M+Na]+ 456.99215 194.7
[M-H]- 432.99565 191.1
[M+NH4]+ 452.03675 199.5
[M+K]+ 472.96609 190.0
[M+H-H2O]+ 417.00019 174.7
[M+HCOO]- 479.00113 207.1
[M+CH3COO]- 493.01678 222.5
[M+Na-2H]- 454.97760 179.0
[M]+ 434.00238 193.1
[M]- 434.00348 193.1
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.