CID 3057425

74038-48-5

Structural Information

Molecular Formula
C11H20F4O7P2
SMILES
CCOP(=O)(C(C(=C(F)F)OP(=O)(OCC)OCC)(F)F)OCC
InChI
InChI=1S/C11H20F4O7P2/c1-5-18-23(16,19-6-2)11(14,15)9(10(12)13)22-24(17,20-7-3)21-8-4/h5-8H2,1-4H3
InChIKey
MYHZUIZKAADVJU-UHFFFAOYSA-N
Compound name
(3-diethoxyphosphoryl-1,1,3,3-tetrafluoroprop-1-en-2-yl) diethyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.06204 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.06932 182.2
[M+Na]+ 425.05126 188.1
[M-H]- 401.05476 183.9
[M+NH4]+ 420.09586 192.7
[M+K]+ 441.02520 183.0
[M+H-H2O]+ 385.05930 167.5
[M+HCOO]- 447.06024 200.7
[M+CH3COO]- 461.07589 220.5
[M+Na-2H]- 423.03671 172.3
[M]+ 402.06149 180.5
[M]- 402.06259 180.5
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.