CID 5146131

92151-89-8

Structural Information

Molecular Formula
C14H10O3
SMILES
COC(=O)C1=CC=CC2=C1OC3=CC=CC=C23
InChI
InChI=1S/C14H10O3/c1-16-14(15)11-7-4-6-10-9-5-2-3-8-12(9)17-13(10)11/h2-8H,1H3
InChIKey
ZBKHXDCUAQMZNR-UHFFFAOYSA-N
Compound name
methyl dibenzofuran-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.06299 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.07027 145.7
[M+Na]+ 249.05221 156.6
[M-H]- 225.05571 152.9
[M+NH4]+ 244.09681 166.8
[M+K]+ 265.02615 154.5
[M+H-H2O]+ 209.06025 140.1
[M+HCOO]- 271.06119 169.4
[M+CH3COO]- 285.07684 160.5
[M+Na-2H]- 247.03766 154.0
[M]+ 226.06244 151.4
[M]- 226.06354 151.4
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