CID 44590868

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

208.04034 Da
Monoisotopic Mass

2.5
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

patents stripe