CID 3021283

4-(1-((4-fluorophenyl)imino)ethyl)-5-phenyl-2,3-furandione

Structural Information

Molecular Formula
C18H12FNO3
SMILES
CC(=NC1=CC=C(C=C1)F)C2=C(OC(=O)C2=O)C3=CC=CC=C3
InChI
InChI=1S/C18H12FNO3/c1-11(20-14-9-7-13(19)8-10-14)15-16(21)18(22)23-17(15)12-5-3-2-4-6-12/h2-10H,1H3
InChIKey
FESUZLSDIVRKEH-UHFFFAOYSA-N
Compound name
4-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-5-phenylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0801 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08738 169.0
[M+Na]+ 332.06932 178.0
[M-H]- 308.07282 180.4
[M+NH4]+ 327.11392 184.4
[M+K]+ 348.04326 174.7
[M+H-H2O]+ 292.07736 160.1
[M+HCOO]- 354.07830 193.5
[M+CH3COO]- 368.09395 209.0
[M+Na-2H]- 330.05477 170.7
[M]+ 309.07955 170.1
[M]- 309.08065 170.1
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.