CID 23618713

7251-85-6

Structural Information

Molecular Formula
C6H12Cl2O4
SMILES
C([C@H]([C@H]([C@@H]([C@@H](CCl)O)O)O)O)Cl
InChI
InChI=1S/C6H12Cl2O4/c7-1-3(9)5(11)6(12)4(10)2-8/h3-6,9-12H,1-2H2/t3-,4-,5-,6-/m1/s1
InChIKey
VSYOJRJNYPFTHS-KVTDHHQDSA-N
Compound name
(2S,3S,4S,5S)-1,6-dichlorohexane-2,3,4,5-tetrol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

218.01126 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.01854 139.0
[M+Na]+ 241.00048 144.8
[M-H]- 217.00398 133.7
[M+NH4]+ 236.04508 155.9
[M+K]+ 256.97442 141.0
[M+H-H2O]+ 201.00852 137.6
[M+HCOO]- 263.00946 144.9
[M+CH3COO]- 277.02511 177.4
[M+Na-2H]- 238.98593 138.5
[M]+ 218.01071 139.0
[M]- 218.01181 139.0
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

patents stripe