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]+ 231.065176 147.2
[M+Na]+ 253.047118 156.3
[M-H]- 229.050624 155.4
[M+NH4]+ 248.091723 165.7
[M+K]+ 269.021058 155.4
[M+H-H2O]+ 213.055160 141.0
[M+HCOO]- 275.056101 172.2
[M+CH3COO]- 289.071751 187.9
[M+Na-2H]- 251.032566 151.8
[M]+ 230.05735142 151.8
[M]- 230.05844858 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.