CID 97024

5-chloro-2-methyl-1-phenyl-1h-benzimidazole

Structural Information

Molecular Formula
C14H11ClN2
SMILES
CC1=NC2=C(N1C3=CC=CC=C3)C=CC(=C2)Cl
InChI
InChI=1S/C14H11ClN2/c1-10-16-13-9-11(15)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3
InChIKey
BDYHHBOQBZEHLL-UHFFFAOYSA-N
Compound name
5-chloro-2-methyl-1-phenylbenzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

20
Patents

242.06108 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.068356 151.9
[M+Na]+ 265.050298 164.6
[M-H]- 241.053804 157.7
[M+NH4]+ 260.094903 170.9
[M+K]+ 281.024238 157.8
[M+H-H2O]+ 225.058340 144.0
[M+HCOO]- 287.059281 170.9
[M+CH3COO]- 301.074931 165.7
[M+Na-2H]- 263.035746 158.4
[M]+ 242.06053142 156.2
[M]- 242.06162858 156.2
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