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

5
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 167.3
[M+Na]+ 340.07672 174.7
[M-H]- 316.08022 167.1
[M+NH4]+ 335.12132 181.6
[M+K]+ 356.05066 172.2
[M+H-H2O]+ 300.08476 157.8
[M+HCOO]- 362.08570 186.5
[M+CH3COO]- 376.10135 209.3
[M+Na-2H]- 338.06217 165.7
[M]+ 317.08695 167.4
[M]- 317.08805 167.4
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