CID 4155836

9-bromo-10-phenyl-anthracene

Structural Information

Molecular Formula

C₂₀H₁₃Br

SMILES

C1=CC=C(C=C1)C2=C3C=CC=CC3=C(C4=CC=CC=C42)Br

InChI

InChI=1S/C20H13Br/c21-20-17-12-6-4-10-15(17)19(14-8-2-1-3-9-14)16-11-5-7-13-18(16)20/h1-13H

InChIKey

WHGGVVHVBFMGSG-UHFFFAOYSA-N

Compound name

9-bromo-10-phenylanthracene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1248
Patents: 332.02005 Da
Monoisotopic Mass: 6.7
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]+	333.02733	172.0
[M+Na]+	355.00927	184.6
[M-H]-	331.01277	183.0
[M+NH4]+	350.05387	191.4
[M+K]+	370.98321	171.2
[M+H-H2O]+	315.01731	170.6
[M+HCOO]-	377.01825	192.4
[M+CH3COO]-	391.03390	186.0
[M+Na-2H]-	352.99472	181.5
[M]+	332.01950	191.1
[M]-	332.02060	191.1

Literature stripe

literature stripe

Patent stripe

patents stripe