CID 12855

2-phenylbenzimidazole

Structural Information

Molecular Formula
C13H10N2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3N2
InChI
InChI=1S/C13H10N2/c1-2-6-10(7-3-1)13-14-11-8-4-5-9-12(11)15-13/h1-9H,(H,14,15)
InChIKey
DWYHDSLIWMUSOO-UHFFFAOYSA-N
Compound name
2-phenyl-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

51
References

18870
Patents

194.0844 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.09168 139.6
[M+Na]+ 217.07362 149.8
[M-H]- 193.07712 143.9
[M+NH4]+ 212.11822 158.5
[M+K]+ 233.04756 144.0
[M+H-H2O]+ 177.08166 131.7
[M+HCOO]- 239.08260 162.3
[M+CH3COO]- 253.09825 153.0
[M+Na-2H]- 215.05907 148.5
[M]+ 194.08385 139.0
[M]- 194.08495 139.0
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