CID 264401

9-benzyl-anthracene

Structural Information

Molecular Formula

C₂₁H₁₆

SMILES

C1=CC=C(C=C1)CC2=C3C=CC=CC3=CC4=CC=CC=C42

InChI

InChI=1S/C21H16/c1-2-8-16(9-3-1)14-21-19-12-6-4-10-17(19)15-18-11-5-7-13-20(18)21/h1-13,15H,14H2

InChIKey

OMKKTUHEEREHJB-UHFFFAOYSA-N

Compound name

9-benzylanthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 93
Patents: 268.1252 Da
Monoisotopic Mass: 6.3
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]+	269.13248	161.6
[M+Na]+	291.11442	170.8
[M-H]-	267.11792	170.1
[M+NH4]+	286.15902	179.7
[M+K]+	307.08836	163.5
[M+H-H2O]+	251.12246	152.8
[M+HCOO]-	313.12340	184.3
[M+CH3COO]-	327.13905	174.1
[M+Na-2H]-	289.09987	171.3
[M]+	268.12465	162.2
[M]-	268.12575	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe