CID 258287

9-(2-bromoacetyl)phenanthrene

Structural Information

Molecular Formula

C₁₆H₁₁BrO

SMILES

C1=CC=C2C(=C1)C=C(C3=CC=CC=C23)C(=O)CBr

InChI

InChI=1S/C16H11BrO/c17-10-16(18)15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2

InChIKey

ANKLVWPFCLGBJX-UHFFFAOYSA-N

Compound name

2-bromo-1-phenanthren-9-ylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 297.99933 Da
Monoisotopic Mass: 4.9
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]+	299.00661	159.8
[M+Na]+	320.98855	172.1
[M-H]-	296.99205	168.0
[M+NH4]+	316.03315	180.7
[M+K]+	336.96249	159.8
[M+H-H2O]+	280.99659	159.5
[M+HCOO]-	342.99753	179.8
[M+CH3COO]-	357.01318	174.3
[M+Na-2H]-	318.97400	169.2
[M]+	297.99878	180.1
[M]-	297.99988	180.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe