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

57
Patents

164.04735 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05463 130.3
[M+Na]+ 187.03657 138.5
[M-H]- 163.04007 134.4
[M+NH4]+ 182.08117 151.8
[M+K]+ 203.01051 137.7
[M+H-H2O]+ 147.04461 125.7
[M+HCOO]- 209.04555 151.5
[M+CH3COO]- 223.06120 173.6
[M+Na-2H]- 185.02202 136.9
[M]+ 164.04680 130.5
[M]- 164.04790 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