CID 22481722

Methyl 2-formyl-1-benzofuran-6-carboxylate

Structural Information

Molecular Formula
C11H8O4
SMILES
COC(=O)C1=CC2=C(C=C1)C=C(O2)C=O
InChI
InChI=1S/C11H8O4/c1-14-11(13)8-3-2-7-4-9(6-12)15-10(7)5-8/h2-6H,1H3
InChIKey
MVYHJMVFXMCOJP-UHFFFAOYSA-N
Compound name
methyl 2-formyl-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

204.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.049526 138.1
[M+Na]+ 227.031468 149.2
[M-H]- 203.034974 144.5
[M+NH4]+ 222.076073 159.2
[M+K]+ 243.005408 148.4
[M+H-H2O]+ 187.039510 133.0
[M+HCOO]- 249.040451 163.5
[M+CH3COO]- 263.056101 183.5
[M+Na-2H]- 225.016916 145.4
[M]+ 204.04170142 144.8
[M]- 204.04279858 144.8
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

patents stripe