CID 853038

1-(4-chlorobenzyl)-1h-benzimidazole

Structural Information

Molecular Formula
C14H11ClN2
SMILES
C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C14H11ClN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
InChIKey
UFLCBIQQTOCIHZ-UHFFFAOYSA-N
Compound name
1-[(4-chlorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

13
Patents

242.06108 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06836 151.7
[M+Na]+ 265.05030 163.5
[M-H]- 241.05380 157.1
[M+NH4]+ 260.09490 170.4
[M+K]+ 281.02424 156.7
[M+H-H2O]+ 225.05834 143.5
[M+HCOO]- 287.05928 170.7
[M+CH3COO]- 301.07493 165.1
[M+Na-2H]- 263.03575 158.9
[M]+ 242.06053 155.6
[M]- 242.06163 155.6
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