CID 3068315

1,2-anhydro-6-bromo-6-deoxygalactitol

Structural Information

Molecular Formula
C6H11BrO4
SMILES
C1C(O1)C(C(C(CBr)O)O)O
InChI
InChI=1S/C6H11BrO4/c7-1-3(8)5(9)6(10)4-2-11-4/h3-6,8-10H,1-2H2
InChIKey
TTXMHDKJKIQMDJ-UHFFFAOYSA-N
Compound name
4-bromo-1-(oxiran-2-yl)butane-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.98407 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.99135 140.6
[M+Na]+ 248.97329 150.9
[M-H]- 224.97679 144.4
[M+NH4]+ 244.01789 154.4
[M+K]+ 264.94723 140.7
[M+H-H2O]+ 208.98133 140.0
[M+HCOO]- 270.98227 155.2
[M+CH3COO]- 284.99792 182.7
[M+Na-2H]- 246.95874 145.2
[M]+ 225.98352 159.6
[M]- 225.98462 159.6
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

No patent data available for this compound.