CID 6437963

2-chloro-1-(4-chloro-2-fluorophenyl)ethenyl diethyl phosphate

Structural Information

Molecular Formula
C12H14Cl2FO4P
SMILES
CCOP(=O)(OCC)O/C(=C\Cl)/C1=C(C=C(C=C1)Cl)F
InChI
InChI=1S/C12H14Cl2FO4P/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
GRQGQYJGKUWSJE-WQLSENKSSA-N
Compound name
[(Z)-2-chloro-1-(4-chloro-2-fluorophenyl)ethenyl] diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.99908 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.00636 167.1
[M+Na]+ 364.98830 176.7
[M-H]- 340.99180 168.4
[M+NH4]+ 360.03290 183.2
[M+K]+ 380.96224 171.9
[M+H-H2O]+ 324.99634 160.0
[M+HCOO]- 386.99728 184.2
[M+CH3COO]- 401.01293 207.2
[M+Na-2H]- 362.97375 167.5
[M]+ 341.99853 175.8
[M]- 341.99963 175.8
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.