CID 202843

2-furoic acid, tetrahydro-5-oxo-2-phenyl-, sodium salt

Structural Information

Molecular Formula
C11H10O4
SMILES
C1CC(OC1=O)(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C11H10O4/c12-9-6-7-11(15-9,10(13)14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,13,14)
InChIKey
GTGBLJJWFWSRNL-UHFFFAOYSA-N
Compound name
5-oxo-2-phenyloxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

206.0579 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.065176 141.3
[M+Na]+ 229.047118 148.8
[M-H]- 205.050624 147.7
[M+NH4]+ 224.091723 161.6
[M+K]+ 245.021058 147.9
[M+H-H2O]+ 189.055160 136.3
[M+HCOO]- 251.056101 162.5
[M+CH3COO]- 265.071751 179.1
[M+Na-2H]- 227.032566 146.5
[M]+ 206.05735142 140.6
[M]- 206.05844858 140.6
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

No patent data available for this compound.