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

2
Patents

232.07356 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.080836 147.6
[M+Na]+ 255.062778 155.0
[M-H]- 231.066284 159.4
[M+NH4]+ 250.107383 164.5
[M+K]+ 271.036718 156.1
[M+H-H2O]+ 215.070820 142.8
[M+HCOO]- 277.071761 169.1
[M+CH3COO]- 291.087411 161.6
[M+Na-2H]- 253.048226 151.4
[M]+ 232.07301142 148.8
[M]- 232.07410858 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

patents stripe