CID 393986

4-(1h-benzimidazol-2-ylmethyl)phenol

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=C2C(=C1)NC(=N2)CC3=CC=C(C=C3)O
InChI
InChI=1S/C14H12N2O/c17-11-7-5-10(6-8-11)9-14-15-12-3-1-2-4-13(12)16-14/h1-8,17H,9H2,(H,15,16)
InChIKey
BGTLUMBJNNLMAH-UHFFFAOYSA-N
Compound name
4-(1H-benzimidazol-2-ylmethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

224.09496 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 148.1
[M+Na]+ 247.084178 158.2
[M-H]- 223.087684 151.3
[M+NH4]+ 242.128783 165.2
[M+K]+ 263.058118 151.9
[M+H-H2O]+ 207.092220 140.3
[M+HCOO]- 269.093161 169.1
[M+CH3COO]- 283.108811 160.6
[M+Na-2H]- 245.069626 155.2
[M]+ 224.09441142 147.8
[M]- 224.09550858 147.8
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