CID 6452960

(r)-5-phenyl-1,3-dioxolane-2,4-dione

Structural Information

Molecular Formula
C9H6O4
SMILES
C1=CC=C(C=C1)[C@@H]2C(=O)OC(=O)O2
InChI
InChI=1S/C9H6O4/c10-8-7(12-9(11)13-8)6-4-2-1-3-5-6/h1-5,7H/t7-/m1/s1
InChIKey
CEJWBKYULAPCRN-SSDOTTSWSA-N
Compound name
(5R)-5-phenyl-1,3-dioxolane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

178.02661 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.033886 130.9
[M+Na]+ 201.015828 140.1
[M-H]- 177.019334 139.5
[M+NH4]+ 196.060433 150.1
[M+K]+ 216.989768 140.8
[M+H-H2O]+ 161.023870 125.7
[M+HCOO]- 223.024811 154.3
[M+CH3COO]- 237.040461 176.6
[M+Na-2H]- 199.001276 137.8
[M]+ 178.02606142 132.6
[M]- 178.02715858 132.6
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