CID 54676480

3-(4-fluorophenyl)-4-hydroxy-5-(phenylmethylene)-2(5h)-furanone

Structural Information

Molecular Formula
C17H11FO3
SMILES
C1=CC=C(C=C1)/C=C/2\C(=C(C(=O)O2)C3=CC=C(C=C3)F)O
InChI
InChI=1S/C17H11FO3/c18-13-8-6-12(7-9-13)15-16(19)14(21-17(15)20)10-11-4-2-1-3-5-11/h1-10,19H/b14-10+
InChIKey
CSHLPZRCTJOCTP-GXDHUFHOSA-N
Compound name
(5E)-5-benzylidene-3-(4-fluorophenyl)-4-hydroxyfuran-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.07648 161.1
[M+Na]+ 305.05842 170.7
[M-H]- 281.06192 169.9
[M+NH4]+ 300.10302 176.9
[M+K]+ 321.03236 166.1
[M+H-H2O]+ 265.06646 153.3
[M+HCOO]- 327.06740 182.8
[M+CH3COO]- 341.08305 173.9
[M+Na-2H]- 303.04387 163.3
[M]+ 282.06865 160.2
[M]- 282.06975 160.2
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

No patent data available for this compound.