CID 12132

Bendazol

Structural Information

Molecular Formula
C14H12N2
SMILES
C1=CC=C(C=C1)CC2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)
InChIKey
YTLQFZVCLXFFRK-UHFFFAOYSA-N
Compound name
2-benzyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

76
References

3163
Patents

208.10005 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 144.3
[M+Na]+ 231.089268 154.0
[M-H]- 207.092774 148.3
[M+NH4]+ 226.133873 162.5
[M+K]+ 247.063208 147.9
[M+H-H2O]+ 191.097310 136.1
[M+HCOO]- 253.098251 166.6
[M+CH3COO]- 267.113901 157.2
[M+Na-2H]- 229.074716 152.5
[M]+ 208.09950142 143.9
[M]- 208.10059858 143.9
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