CID 703028

Methyl (3-oxo-5-phenyl-2(3h)-furanylidene)acetate

Structural Information

Molecular Formula
C13H10O4
SMILES
COC(=O)/C=C/1\C(=O)C=C(O1)C2=CC=CC=C2
InChI
InChI=1S/C13H10O4/c1-16-13(15)8-12-10(14)7-11(17-12)9-5-3-2-4-6-9/h2-8H,1H3/b12-8+
InChIKey
BNDXBUTZZWDWHM-XYOKQWHBSA-N
Compound name
methyl (2E)-2-(3-oxo-5-phenylfuran-2-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

230.0579 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 149.2
[M+Na]+ 253.04712 161.5
[M+NH4]+ 248.09172 156.3
[M+K]+ 269.02106 157.9
[M-H]- 229.05062 152.7
[M+Na-2H]- 251.03257 155.0
[M]+ 230.05735 151.7
[M]- 230.05845 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.