CID 15788343

1,3-dihydro-2-benzofuran-5-carboxylic acid

Structural Information

Molecular Formula
C9H8O3
SMILES
C1C2=C(CO1)C=C(C=C2)C(=O)O
InChI
InChI=1S/C9H8O3/c10-9(11)6-1-2-7-4-12-5-8(7)3-6/h1-3H,4-5H2,(H,10,11)
InChIKey
QQYBGVFMYNTJDJ-UHFFFAOYSA-N
Compound name
1,3-dihydro-2-benzofuran-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

164.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.054626 130.3
[M+Na]+ 187.036568 138.5
[M-H]- 163.040074 134.4
[M+NH4]+ 182.081173 151.8
[M+K]+ 203.010508 137.7
[M+H-H2O]+ 147.044610 125.7
[M+HCOO]- 209.045551 151.5
[M+CH3COO]- 223.061201 173.6
[M+Na-2H]- 185.022016 136.9
[M]+ 164.04680142 130.5
[M]- 164.04789858 130.5
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