CID 200946

2963-64-6

Structural Information

Molecular Formula
C14H12N2
SMILES
CC1=CC=CC=C1C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C14H12N2/c1-10-6-2-3-7-11(10)14-15-12-8-4-5-9-13(12)16-14/h2-9H,1H3,(H,15,16)
InChIKey
XBXVUKKKEYEPTR-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

91
Patents

208.10005 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.107326 144.6
[M+Na]+ 231.089268 155.3
[M-H]- 207.092774 149.1
[M+NH4]+ 226.133873 163.2
[M+K]+ 247.063208 149.3
[M+H-H2O]+ 191.097310 136.7
[M+HCOO]- 253.098251 167.0
[M+CH3COO]- 267.113901 158.0
[M+Na-2H]- 229.074716 152.1
[M]+ 208.09950142 144.7
[M]- 208.10059858 144.7
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