CID 2298790

100501-60-8

Structural Information

Molecular Formula
C14H14F3NO4
SMILES
CCOC(=O)C(=CNC1=C(C(=C(C=C1)F)F)F)C(=O)OCC
InChI
InChI=1S/C14H14F3NO4/c1-3-21-13(19)8(14(20)22-4-2)7-18-10-6-5-9(15)11(16)12(10)17/h5-7,18H,3-4H2,1-2H3
InChIKey
KSWGDSAIUPPJIB-UHFFFAOYSA-N
Compound name
diethyl 2-[(2,3,4-trifluoroanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

317.0875 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09478 173.0
[M+Na]+ 340.07672 179.5
[M+NH4]+ 335.12132 175.5
[M+K]+ 356.05066 175.6
[M-H]- 316.08022 168.4
[M+Na-2H]- 338.06217 173.4
[M]+ 317.08695 171.9
[M]- 317.08805 171.9
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

patents stripe