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 147.6
[M+Na]+ 253.04712 156.1
[M-H]- 229.05062 155.5
[M+NH4]+ 248.09172 166.1
[M+K]+ 269.02106 154.7
[M+H-H2O]+ 213.05516 141.6
[M+HCOO]- 275.05610 171.4
[M+CH3COO]- 289.07175 186.8
[M+Na-2H]- 251.03257 151.3
[M]+ 230.05735 150.1
[M]- 230.05845 150.1
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.