CID 44590807

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

Structural Information

Molecular Formula
C10H9ClN2O
SMILES
CC(=O)C1=NC2=C(N1C)C=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN2O/c1-6(14)10-12-8-4-3-7(11)5-9(8)13(10)2/h3-5H,1-2H3
InChIKey
AHWIFAIMYTZUCC-UHFFFAOYSA-N
Compound name
1-(6-chloro-1-methylbenzimidazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

208.04034 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.04762 140.8
[M+Na]+ 231.02956 153.8
[M-H]- 207.03306 143.8
[M+NH4]+ 226.07416 161.6
[M+K]+ 247.00350 149.1
[M+H-H2O]+ 191.03760 134.7
[M+HCOO]- 253.03854 159.2
[M+CH3COO]- 267.05419 186.1
[M+Na-2H]- 229.01501 146.2
[M]+ 208.03979 146.3
[M]- 208.04089 146.3
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.