CID 513129

(2r)-3-(5,6-dichlorobenzimidazol-1-yl)-3-(2-hydroxyethoxy)propane-1,2-diol

Structural Information

Molecular Formula
C12H14Cl2N2O4
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C=N2)C([C@@H](CO)O)OCCO
InChI
InChI=1S/C12H14Cl2N2O4/c13-7-3-9-10(4-8(7)14)16(6-15-9)12(11(19)5-18)20-2-1-17/h3-4,6,11-12,17-19H,1-2,5H2/t11-,12?/m1/s1
InChIKey
NKOMVQULTPZZAD-JHJMLUEUSA-N
Compound name
(2R)-3-(5,6-dichlorobenzimidazol-1-yl)-3-(2-hydroxyethoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.03305 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.04033 163.0
[M+Na]+ 343.02227 172.8
[M-H]- 319.02577 161.3
[M+NH4]+ 338.06687 177.3
[M+K]+ 358.99621 167.2
[M+H-H2O]+ 303.03031 157.8
[M+HCOO]- 365.03125 170.8
[M+CH3COO]- 379.04690 197.1
[M+Na-2H]- 341.00772 164.7
[M]+ 320.03250 169.2
[M]- 320.03360 169.2
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.