CID 2736886

49713-41-9

Structural Information

Molecular Formula
C15H16F3NO5
SMILES
CCOC(=O)C(=CNC1=CC=CC=C1OC(F)(F)F)C(=O)OCC
InChI
InChI=1S/C15H16F3NO5/c1-3-22-13(20)10(14(21)23-4-2)9-19-11-7-5-6-8-12(11)24-15(16,17)18/h5-9,19H,3-4H2,1-2H3
InChIKey
FRVSBCHUUIMIOZ-UHFFFAOYSA-N
Compound name
diethyl 2-[[2-(trifluoromethoxy)anilino]methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09805 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10533 175.1
[M+Na]+ 370.08727 180.5
[M-H]- 346.09077 174.2
[M+NH4]+ 365.13187 187.6
[M+K]+ 386.06121 178.9
[M+H-H2O]+ 330.09531 165.4
[M+HCOO]- 392.09625 192.7
[M+CH3COO]- 406.11190 211.5
[M+Na-2H]- 368.07272 175.5
[M]+ 347.09750 175.6
[M]- 347.09860 175.6
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

No patent data available for this compound.