CID 23653

1,6-dibenzoyl-d-mannitol

Structural Information

Molecular Formula
C20H22O8
SMILES
C1=CC=C(C=C1)C(=O)OCC(C(C(C(COC(=O)C2=CC=CC=C2)O)O)O)O
InChI
InChI=1S/C20H22O8/c21-15(11-27-19(25)13-7-3-1-4-8-13)17(23)18(24)16(22)12-28-20(26)14-9-5-2-6-10-14/h1-10,15-18,21-24H,11-12H2
InChIKey
LDFVROHMRYBVGB-UHFFFAOYSA-N
Compound name
(6-benzoyloxy-2,3,4,5-tetrahydroxyhexyl) benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

390.13147 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.13875 188.7
[M+Na]+ 413.12069 188.6
[M-H]- 389.12419 188.6
[M+NH4]+ 408.16529 195.4
[M+K]+ 429.09463 187.9
[M+H-H2O]+ 373.12873 180.4
[M+HCOO]- 435.12967 200.9
[M+CH3COO]- 449.14532 210.2
[M+Na-2H]- 411.10614 185.1
[M]+ 390.13092 188.6
[M]- 390.13202 188.6
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