CID 3035295

2024-52-4

Structural Information

Molecular Formula
C7H10Cl3F2O4P
SMILES
CCOP(=O)(OCC)O/C(=C(/F)\Cl)/C(F)(Cl)Cl
InChI
InChI=1S/C7H10Cl3F2O4P/c1-3-14-17(13,15-4-2)16-5(6(8)11)7(9,10)12/h3-4H2,1-2H3/b6-5+
InChIKey
CGLZJPKGIUUKDV-AATRIKPKSA-N
Compound name
diethyl [(Z)-1,3,3-trichloro-1,3-difluoroprop-1-en-2-yl] phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.93503 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.94231 155.6
[M+Na]+ 354.92425 164.6
[M-H]- 330.92775 152.1
[M+NH4]+ 349.96885 171.9
[M+K]+ 370.89819 160.4
[M+H-H2O]+ 314.93229 150.7
[M+HCOO]- 376.93323 164.3
[M+CH3COO]- 390.94888 203.6
[M+Na-2H]- 352.90970 156.7
[M]+ 331.93448 161.7
[M]- 331.93558 161.7
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

No patent data available for this compound.