CID 648179

82326-53-2

Structural Information

Molecular Formula

C₁₄H₁₀N₂O

SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=CN3

InChI

InChI=1S/C14H10N2O/c17-14(10-4-2-1-3-5-10)11-6-7-12-13(8-11)16-9-15-12/h1-9H,(H,15,16)

InChIKey

CGVCBANYMPJILL-UHFFFAOYSA-N

Compound name

3H-benzimidazol-5-yl(phenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 95
Patents: 222.07932 Da
Monoisotopic Mass: 3.2
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]+	223.08660	147.2
[M+Na]+	245.06854	156.7
[M-H]-	221.07204	151.5
[M+NH4]+	240.11314	164.6
[M+K]+	261.04248	151.2
[M+H-H2O]+	205.07658	139.1
[M+HCOO]-	267.07752	168.9
[M+CH3COO]-	281.09317	159.9
[M+Na-2H]-	243.05399	154.3
[M]+	222.07877	147.0
[M]-	222.07987	147.0

Literature stripe

literature stripe

Patent stripe

patents stripe