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]+ 294.980236 156.6
[M+Na]+ 316.962178 169.6
[M-H]- 292.965684 156.3
[M+NH4]+ 312.006783 173.6
[M+K]+ 332.936118 163.1
[M+H-H2O]+ 276.970220 151.3
[M+HCOO]- 338.971161 163.6
[M+CH3COO]- 352.986811 196.5
[M+Na-2H]- 314.947626 160.0
[M]+ 293.97241142 163.8
[M]- 293.97350858 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.