CID 12269531

4-formyl-7-methoxy-1-benzofuran-2-carboxylic acid

Structural Information

Molecular Formula
C11H8O5
SMILES
COC1=C2C(=C(C=C1)C=O)C=C(O2)C(=O)O
InChI
InChI=1S/C11H8O5/c1-15-8-3-2-6(5-12)7-4-9(11(13)14)16-10(7)8/h2-5H,1H3,(H,13,14)
InChIKey
YDZWKNQEWKZVPD-UHFFFAOYSA-N
Compound name
4-formyl-7-methoxy-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

220.03717 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.044446 140.8
[M+Na]+ 243.026388 152.0
[M-H]- 219.029894 146.1
[M+NH4]+ 238.070993 160.5
[M+K]+ 259.000328 151.0
[M+H-H2O]+ 203.034430 135.9
[M+HCOO]- 265.035371 164.8
[M+CH3COO]- 279.051021 185.1
[M+Na-2H]- 241.011836 147.1
[M]+ 220.03662142 147.6
[M]- 220.03771858 147.6
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