CID 595792

26832-96-2

Structural Information

Molecular Formula
C14H16FNO4
SMILES
CCOC(=O)C(=CNC1=CC=C(C=C1)F)C(=O)OCC
InChI
InChI=1S/C14H16FNO4/c1-3-19-13(17)12(14(18)20-4-2)9-16-11-7-5-10(15)6-8-11/h5-9,16H,3-4H2,1-2H3
InChIKey
UKOQPGUZNBTTLG-UHFFFAOYSA-N
Compound name
diethyl 2-[(4-fluoroanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

23
Patents

281.10632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.113596 163.2
[M+Na]+ 304.095538 168.6
[M-H]- 280.099044 165.0
[M+NH4]+ 299.140143 178.5
[M+K]+ 320.069478 166.9
[M+H-H2O]+ 264.103580 155.2
[M+HCOO]- 326.104521 184.6
[M+CH3COO]- 340.120171 201.3
[M+Na-2H]- 302.080986 164.1
[M]+ 281.10577142 164.9
[M]- 281.10686858 164.9
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