CID 608139

Ethyl 4-(5-formyl-2-furyl)benzoate

Structural Information

Molecular Formula
C14H12O4
SMILES
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=O
InChI
InChI=1S/C14H12O4/c1-2-17-14(16)11-5-3-10(4-6-11)13-8-7-12(9-15)18-13/h3-9H,2H2,1H3
InChIKey
UWLKFGFYBKJASW-UHFFFAOYSA-N
Compound name
ethyl 4-(5-formylfuran-2-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

49
Patents

244.07356 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.08084 152.9
[M+Na]+ 267.06278 165.8
[M+NH4]+ 262.10738 160.2
[M+K]+ 283.03672 161.9
[M-H]- 243.06628 156.8
[M+Na-2H]- 265.04823 159.4
[M]+ 244.07301 155.8
[M]- 244.07411 155.8
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

patents stripe