CID 5377784

Chlorfenvinphos

Structural Information

Molecular Formula
C12H14Cl3O4P
SMILES
CCOP(=O)(OCC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8-
InChIKey
FSAVDKDHPDSCTO-WQLSENKSSA-N
Compound name
[(Z)-2-chloro-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

283
References

27080
Patents

357.96954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.97682 169.0
[M+Na]+ 380.95876 178.6
[M-H]- 356.96226 170.8
[M+NH4]+ 376.00336 184.6
[M+K]+ 396.93270 173.3
[M+H-H2O]+ 340.96680 163.7
[M+HCOO]- 402.96774 181.7
[M+CH3COO]- 416.98339 209.4
[M+Na-2H]- 378.94421 169.2
[M]+ 357.96899 178.7
[M]- 357.97009 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe