CID 135740402

2-(1h-1,3-benzodiazol-2-yl)-4-methylphenol

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

CC1=CC(=C(C=C1)O)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C14H12N2O/c1-9-6-7-13(17)10(8-9)14-15-11-4-2-3-5-12(11)16-14/h2-8,17H,1H3,(H,15,16)

InChIKey

DHGDWTMPWISXNH-UHFFFAOYSA-N

Compound name

2-(1H-benzimidazol-2-yl)-4-methylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 224.09496 Da
Monoisotopic Mass: 2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	225.10224	149.2
[M+Na]+	247.08418	165.2
[M+NH4]+	242.12878	158.0
[M+K]+	263.05812	159.3
[M-H]-	223.08768	152.8
[M+Na-2H]-	245.06963	158.1
[M]+	224.09441	152.6
[M]-	224.09551	152.6

Literature stripe

literature stripe

Patent stripe

patents stripe