CID 1799102

63010-68-4

Structural Information

Molecular Formula
C14H16FNO4
SMILES
CCOC(=O)C(=CNC1=CC=CC=C1F)C(=O)OCC
InChI
InChI=1S/C14H16FNO4/c1-3-19-13(17)10(14(18)20-4-2)9-16-12-8-6-5-7-11(12)15/h5-9,16H,3-4H2,1-2H3
InChIKey
MSFAOJKKCLDGQX-UHFFFAOYSA-N
Compound name
diethyl 2-[(2-fluoroanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

281.10632 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.11360 163.2
[M+Na]+ 304.09554 168.6
[M-H]- 280.09904 165.0
[M+NH4]+ 299.14014 178.5
[M+K]+ 320.06948 166.9
[M+H-H2O]+ 264.10358 155.2
[M+HCOO]- 326.10452 184.6
[M+CH3COO]- 340.12017 201.3
[M+Na-2H]- 302.08099 164.1
[M]+ 281.10577 164.9
[M]- 281.10687 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