CID 3021279

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

Structural Information

Molecular Formula
C13H10FNO3
SMILES
CC1=C(C(=O)C(=O)O1)C(=NC2=CC=C(C=C2)F)C
InChI
InChI=1S/C13H10FNO3/c1-7(11-8(2)18-13(17)12(11)16)15-10-5-3-9(14)4-6-10/h3-6H,1-2H3
InChIKey
ULLOJIQFZIOJNT-UHFFFAOYSA-N
Compound name
4-[N-(4-fluorophenyl)-C-methylcarbonimidoyl]-5-methylfuran-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.06447 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07175 150.7
[M+Na]+ 270.05369 160.6
[M-H]- 246.05719 159.2
[M+NH4]+ 265.09829 169.3
[M+K]+ 286.02763 158.9
[M+H-H2O]+ 230.06173 143.5
[M+HCOO]- 292.06267 175.6
[M+CH3COO]- 306.07832 198.0
[M+Na-2H]- 268.03914 153.1
[M]+ 247.06392 152.6
[M]- 247.06502 152.6
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.