CID 5468612

Nsc672865

Structural Information

Molecular Formula
C17H16F2NO4P
SMILES
CCOP(=O)(/C(=C/C1=CC=C(O1)C2=C(C=C(C=C2)F)F)/C#N)OCC
InChI
InChI=1S/C17H16F2NO4P/c1-3-22-25(21,23-4-2)14(11-20)10-13-6-8-17(24-13)15-7-5-12(18)9-16(15)19/h5-10H,3-4H2,1-2H3/b14-10+
InChIKey
FYDLMUQEIBJKOB-GXDHUFHOSA-N
Compound name
(E)-2-diethoxyphosphoryl-3-[5-(2,4-difluorophenyl)furan-2-yl]prop-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

367.0785 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.08578 177.7
[M+Na]+ 390.06772 187.4
[M-H]- 366.07122 180.2
[M+NH4]+ 385.11232 189.5
[M+K]+ 406.04166 183.8
[M+H-H2O]+ 350.07576 160.5
[M+HCOO]- 412.07670 198.7
[M+CH3COO]- 426.09235 223.7
[M+Na-2H]- 388.05317 176.0
[M]+ 367.07795 176.4
[M]- 367.07905 176.4
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

No patent data available for this compound.