CID 513131

(3s,4r)-6-(5,6-dichlorobenzimidazol-1-yl)tetrahydropyran-3,4-diol

Structural Information

Molecular Formula
C12H12Cl2N2O3
SMILES
C1[C@H]([C@H](COC1N2C=NC3=CC(=C(C=C32)Cl)Cl)O)O
InChI
InChI=1S/C12H12Cl2N2O3/c13-6-1-8-9(2-7(6)14)16(5-15-8)12-3-10(17)11(18)4-19-12/h1-2,5,10-12,17-18H,3-4H2/t10-,11+,12?/m1/s1
InChIKey
RZRNKVIVGMCCFH-UBNQGINQSA-N
Compound name
(3S,4R)-6-(5,6-dichlorobenzimidazol-1-yl)oxane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.0225 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.02978 162.7
[M+Na]+ 325.01172 174.0
[M-H]- 301.01522 165.7
[M+NH4]+ 320.05632 177.2
[M+K]+ 340.98566 168.5
[M+H-H2O]+ 285.01976 156.4
[M+HCOO]- 347.02070 169.5
[M+CH3COO]- 361.03635 173.9
[M+Na-2H]- 322.99717 164.9
[M]+ 302.02195 165.2
[M]- 302.02305 165.2
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.