CID 2776555

1914-60-9

Structural Information

Molecular Formula
C9H8O3
SMILES
C1C(OC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C9H8O3/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-4,8H,5H2,(H,10,11)
InChIKey
WEVFUSSJCGAVOH-UHFFFAOYSA-N
Compound name
2,3-dihydro-1-benzofuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

535
Patents

164.04735 Da
Monoisotopic Mass

1.5
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

literature stripe

Patent stripe

patents stripe