CID 44590806

1-(6-chloro-1-methyl-1h-1,3-benzodiazol-2-yl)ethan-1-ol

Structural Information

Molecular Formula
C10H11ClN2O
SMILES
CC(C1=NC2=C(N1C)C=C(C=C2)Cl)O
InChI
InChI=1S/C10H11ClN2O/c1-6(14)10-12-8-4-3-7(11)5-9(8)13(10)2/h3-6,14H,1-2H3
InChIKey
CSUQSNUYNQSETD-UHFFFAOYSA-N
Compound name
1-(6-chloro-1-methylbenzimidazol-2-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

210.05598 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.063256 142.4
[M+Na]+ 233.045198 154.6
[M-H]- 209.048704 144.0
[M+NH4]+ 228.089803 162.4
[M+K]+ 249.019138 149.7
[M+H-H2O]+ 193.053240 136.6
[M+HCOO]- 255.054181 159.1
[M+CH3COO]- 269.069831 184.4
[M+Na-2H]- 231.030646 147.3
[M]+ 210.05543142 146.7
[M]- 210.05652858 146.7
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.