CID 3012563

1h-imidazole, 4,5-dichloro-1-b-d-ribofuranosyl-

Structural Information

Molecular Formula
C8H10Cl2N2O4
SMILES
C1=NC(=C(N1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)Cl)Cl
InChI
InChI=1S/C8H10Cl2N2O4/c9-6-7(10)12(2-11-6)8-5(15)4(14)3(1-13)16-8/h2-5,8,13-15H,1H2/t3-,4-,5-,8-/m1/s1
InChIKey
ADSMBHFYFUAANQ-AFCXAGJDSA-N
Compound name
(2R,3R,4S,5R)-2-(4,5-dichloroimidazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

268.00177 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.00905 154.0
[M+Na]+ 290.99099 164.4
[M-H]- 266.99449 155.3
[M+NH4]+ 286.03559 169.8
[M+K]+ 306.96493 160.2
[M+H-H2O]+ 250.99903 149.2
[M+HCOO]- 312.99997 161.7
[M+CH3COO]- 327.01562 185.9
[M+Na-2H]- 288.97644 152.9
[M]+ 268.00122 155.9
[M]- 268.00232 155.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.