CID 389167

Nsc684851

Structural Information

Molecular Formula
C14H15F2NO4
SMILES
CCOC(=O)C(=CNC1=CC(=C(C=C1)F)F)C(=O)OCC
InChI
InChI=1S/C14H15F2NO4/c1-3-20-13(18)10(14(19)21-4-2)8-17-9-5-6-11(15)12(16)7-9/h5-8,17H,3-4H2,1-2H3
InChIKey
DJHBWAZSUKREIR-UHFFFAOYSA-N
Compound name
diethyl 2-[(3,4-difluoroanilino)methylidene]propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

299.09692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.10420 165.2
[M+Na]+ 322.08614 171.6
[M-H]- 298.08964 166.0
[M+NH4]+ 317.13074 180.1
[M+K]+ 338.06008 169.5
[M+H-H2O]+ 282.09418 156.4
[M+HCOO]- 344.09512 185.5
[M+CH3COO]- 358.11077 205.3
[M+Na-2H]- 320.07159 164.9
[M]+ 299.09637 166.2
[M]- 299.09747 166.2
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