CID 27265

1,6-dibromo-1,6-dideoxy-d-mannitol 2,3,4,5-tetraacetate

Structural Information

Molecular Formula
C14H20Br2O8
SMILES
CC(=O)OC(CBr)C(C(C(CBr)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C14H20Br2O8/c1-7(17)21-11(5-15)13(23-9(3)19)14(24-10(4)20)12(6-16)22-8(2)18/h11-14H,5-6H2,1-4H3
InChIKey
UKPLTNPGLVFJHC-UHFFFAOYSA-N
Compound name
(3,4,5-triacetyloxy-1,6-dibromohexan-2-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.95248 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.95976 178.1
[M+Na]+ 496.94170 183.6
[M-H]- 472.94520 180.6
[M+NH4]+ 491.98630 263.1
[M+K]+ 512.91564 170.9
[M+H-H2O]+ 456.94974 183.3
[M+HCOO]- 518.95068 251.8
[M+CH3COO]- 532.96633 227.4
[M+Na-2H]- 494.92715 174.8
[M]+ 473.95193 216.0
[M]- 473.95303 216.0
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.