CID 10775790

5-benzoyl-furan-2-carboxylic acid methyl ester

Structural Information

Molecular Formula
C13H10O4
SMILES
COC(=O)C1=CC=C(O1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H10O4/c1-16-13(15)11-8-7-10(17-11)12(14)9-5-3-2-4-6-9/h2-8H,1H3
InChIKey
FILYPAWPUAUFFC-UHFFFAOYSA-N
Compound name
methyl 5-benzoylfuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

230.0579 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 148.2
[M+Na]+ 253.04712 156.0
[M-H]- 229.05062 156.1
[M+NH4]+ 248.09172 166.2
[M+K]+ 269.02106 155.6
[M+H-H2O]+ 213.05516 141.8
[M+HCOO]- 275.05610 172.1
[M+CH3COO]- 289.07175 187.6
[M+Na-2H]- 251.03257 152.1
[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

No literature data available for this compound.

Patent stripe

patents stripe