CID 186763

63053-15-6

Structural Information

Molecular Formula
C12H8ClN3
SMILES
C1=CC=NC(=C1)C2=NC3=C(N2)C=C(C=C3)Cl
InChI
InChI=1S/C12H8ClN3/c13-8-4-5-9-11(7-8)16-12(15-9)10-3-1-2-6-14-10/h1-7H,(H,15,16)
InChIKey
AIASBFLKLNIZOK-UHFFFAOYSA-N
Compound name
6-chloro-2-pyridin-2-yl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

12
Patents

229.04068 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.04796 146.8
[M+Na]+ 252.02990 159.0
[M-H]- 228.03340 149.7
[M+NH4]+ 247.07450 163.8
[M+K]+ 268.00384 151.6
[M+H-H2O]+ 212.03794 138.3
[M+HCOO]- 274.03888 163.5
[M+CH3COO]- 288.05453 159.6
[M+Na-2H]- 250.01535 154.6
[M]+ 229.04013 148.6
[M]- 229.04123 148.6
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