CID 18075

2963-66-8

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)O
InChI
InChI=1S/C13H10N2O/c16-12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8,16H,(H,14,15)
InChIKey
XWXMGTIHBYFTIE-UHFFFAOYSA-N
Compound name
2-(1H-benzimidazol-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

31
References

1438
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