CID 467840

2-[(2,5,6-trichlorobenzimidazol-1-yl)methoxy]ethanol

Structural Information

Molecular Formula
C10H9Cl3N2O2
SMILES
C1=C2C(=CC(=C1Cl)Cl)N(C(=N2)Cl)COCCO
InChI
InChI=1S/C10H9Cl3N2O2/c11-6-3-8-9(4-7(6)12)15(10(13)14-8)5-17-2-1-16/h3-4,16H,1-2,5H2
InChIKey
ZZHNZKCCOLGBRW-UHFFFAOYSA-N
Compound name
2-[(2,5,6-trichlorobenzimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.97296 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.98024 156.6
[M+Na]+ 316.96218 169.6
[M-H]- 292.96568 156.3
[M+NH4]+ 312.00678 173.6
[M+K]+ 332.93612 163.1
[M+H-H2O]+ 276.97022 151.3
[M+HCOO]- 338.97116 163.6
[M+CH3COO]- 352.98681 196.5
[M+Na-2H]- 314.94763 160.0
[M]+ 293.97241 163.8
[M]- 293.97351 163.8
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.