CID 54679297

Zilascorb (2h)

Structural Information

Molecular Formula
C13H12O6
SMILES
[2H]C1(OC[C@H](O1)[C@@H]2C(=C(C(=O)O2)O)O)C3=CC=CC=C3
InChI
InChI=1S/C13H12O6/c14-9-10(15)12(16)19-11(9)8-6-17-13(18-8)7-4-2-1-3-5-7/h1-5,8,11,13-15H,6H2/t8-,11+,13?/m0/s1/i13D
InChIKey
SWTGJCNCBUCXSS-GUFVNPKRSA-N
Compound name
(2R)-2-[(4S)-2-deuterio-2-phenyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-2H-furan-5-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

10210
Patents

265.06967 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07695 153.8
[M+Na]+ 288.05889 162.2
[M-H]- 264.06239 163.8
[M+NH4]+ 283.10349 170.3
[M+K]+ 304.03283 162.8
[M+H-H2O]+ 248.06693 149.8
[M+HCOO]- 310.06787 172.8
[M+CH3COO]- 324.08352 188.5
[M+Na-2H]- 286.04434 157.6
[M]+ 265.06912 155.9
[M]- 265.07022 155.9
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.