CID 12844603

344287-58-7

Structural Information

Molecular Formula
C10H8O4
SMILES
COC1=CC=CC2=C1OC=C2C(=O)O
InChI
InChI=1S/C10H8O4/c1-13-8-4-2-3-6-7(10(11)12)5-14-9(6)8/h2-5H,1H3,(H,11,12)
InChIKey
LBIXZQALKDMTIT-UHFFFAOYSA-N
Compound name
7-methoxy-1-benzofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

192.04225 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.049526 134.9
[M+Na]+ 215.031468 145.6
[M-H]- 191.034974 140.0
[M+NH4]+ 210.076073 155.7
[M+K]+ 231.005408 144.7
[M+H-H2O]+ 175.039510 130.1
[M+HCOO]- 237.040451 158.9
[M+CH3COO]- 251.056101 179.4
[M+Na-2H]- 213.016916 142.3
[M]+ 192.04170142 140.2
[M]- 192.04279858 140.2
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