CID 763204

3-(1h-benzoimidazol-2-yl)-phenol

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)O
InChI
InChI=1S/C13H10N2O/c16-10-5-3-4-9(8-10)13-14-11-6-1-2-7-12(11)15-13/h1-8,16H,(H,14,15)
InChIKey
UDVFXRGKRCNQBH-UHFFFAOYSA-N
Compound name
3-(1H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

20
Patents

210.07932 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 143.5
[M+Na]+ 233.068538 154.0
[M-H]- 209.072044 146.9
[M+NH4]+ 228.113143 161.2
[M+K]+ 249.042478 148.0
[M+H-H2O]+ 193.076580 136.0
[M+HCOO]- 255.077521 164.9
[M+CH3COO]- 269.093171 156.5
[M+Na-2H]- 231.053986 151.2
[M]+ 210.07877142 142.9
[M]- 210.07986858 142.9
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