CID 24209758

1217498-73-1

Structural Information

Molecular Formula
C13H12O4
SMILES
C1[C@H](OC(O1)C2=CC=CC=C2)[C@@H]3C=CC(=O)O3
InChI
InChI=1S/C13H12O4/c14-12-7-6-10(16-12)11-8-15-13(17-11)9-4-2-1-3-5-9/h1-7,10-11,13H,8H2/t10-,11-,13?/m0/s1
InChIKey
MLNVRDTUWCSKHP-WAQLSPKVSA-N
Compound name
(2S)-2-[(4S)-2-phenyl-1,3-dioxolan-4-yl]-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.08084 147.6
[M+Na]+ 255.06278 155.0
[M-H]- 231.06628 159.4
[M+NH4]+ 250.10738 164.5
[M+K]+ 271.03672 156.1
[M+H-H2O]+ 215.07082 142.8
[M+HCOO]- 277.07176 169.1
[M+CH3COO]- 291.08741 161.6
[M+Na-2H]- 253.04823 151.4
[M]+ 232.07301 148.8
[M]- 232.07411 148.8
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.