CID 506146

22596-04-9

Structural Information

Molecular Formula
C11H11Cl2N3O4
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(N=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
InChI
InChI=1S/C11H11Cl2N3O4/c12-4-1-6-7(2-5(4)13)16(15-14-6)11-10(19)9(18)8(3-17)20-11/h1-2,8-11,17-19H,3H2/t8-,9-,10-,11-/m1/s1
InChIKey
XUIJNCCBICNURA-GWOFURMSSA-N
Compound name
(2R,3R,4S,5R)-2-(5,6-dichlorobenzotriazol-1-yl)-5-(hydroxymethyl)oxolane-3,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

12
Patents

319.01266 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.01994 166.0
[M+Na]+ 342.00188 178.3
[M-H]- 318.00538 167.5
[M+NH4]+ 337.04648 179.7
[M+K]+ 357.97582 173.1
[M+H-H2O]+ 302.00992 160.1
[M+HCOO]- 364.01086 172.6
[M+CH3COO]- 378.02651 176.9
[M+Na-2H]- 339.98733 165.7
[M]+ 319.01211 170.5
[M]- 319.01321 170.5
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.