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

6
Patents

204.04225 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04953 138.1
[M+Na]+ 227.03147 149.2
[M-H]- 203.03497 144.5
[M+NH4]+ 222.07607 159.2
[M+K]+ 243.00541 148.4
[M+H-H2O]+ 187.03951 133.0
[M+HCOO]- 249.04045 163.5
[M+CH3COO]- 263.05610 183.5
[M+Na-2H]- 225.01692 145.4
[M]+ 204.04170 144.8
[M]- 204.04280 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