CID 467861

Chembl354958

Structural Information

Molecular Formula
C10H9BrCl2N2O2
SMILES
C1=C(C=C(C2=C1N(C(=N2)Br)COCCO)Cl)Cl
InChI
InChI=1S/C10H9BrCl2N2O2/c11-10-14-9-7(13)3-6(12)4-8(9)15(10)5-17-2-1-16/h3-4,16H,1-2,5H2
InChIKey
JAOGGDAOOGLRAK-UHFFFAOYSA-N
Compound name
2-[(2-bromo-4,6-dichlorobenzimidazol-1-yl)methoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.92245 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.92973 158.0
[M+Na]+ 360.91167 174.5
[M-H]- 336.91517 161.8
[M+NH4]+ 355.95627 177.3
[M+K]+ 376.88561 160.2
[M+H-H2O]+ 320.91971 158.5
[M+HCOO]- 382.92065 168.8
[M+CH3COO]- 396.93630 200.4
[M+Na-2H]- 358.89712 164.0
[M]+ 337.92190 183.3
[M]- 337.92300 183.3
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.