CID 17603915

400746-13-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.0579 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.06518 147.2
[M+Na]+ 253.04712 156.3
[M-H]- 229.05062 155.4
[M+NH4]+ 248.09172 165.7
[M+K]+ 269.02106 155.4
[M+H-H2O]+ 213.05516 141.0
[M+HCOO]- 275.05610 172.2
[M+CH3COO]- 289.07175 187.9
[M+Na-2H]- 251.03257 151.8
[M]+ 230.05735 151.8
[M]- 230.05845 151.8
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.