CID 853038

107456-42-8

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

10
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 151.2
[M+Na]+ 265.05030 169.3
[M+NH4]+ 260.09490 161.6
[M+K]+ 281.02424 161.0
[M-H]- 241.05380 156.3
[M+Na-2H]- 263.03575 162.1
[M]+ 242.06053 155.8
[M]- 242.06163 155.8
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