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
2
Annotation Hits

37
References

10004
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

literature stripe

Patent stripe

patents stripe