CID 185610

2-bromo-6(5h)-phenanthridinone

Structural Information

Molecular Formula

C₁₃H₈BrNO

SMILES

C1=CC=C2C(=C1)C3=C(C=CC(=C3)Br)NC2=O

InChI

InChI=1S/C13H8BrNO/c14-8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(16)15-12/h1-7H,(H,15,16)

InChIKey

OJWSCRAZKRSYIB-UHFFFAOYSA-N

Compound name

2-bromo-5H-phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 56
Patents: 272.97894 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]+	273.986216	149.3
[M+Na]+	295.968158	163.7
[M-H]-	271.971664	155.7
[M+NH4]+	291.012763	169.8
[M+K]+	311.942098	150.6
[M+H-H2O]+	255.976200	149.1
[M+HCOO]-	317.977141	168.7
[M+CH3COO]-	331.992791	164.3
[M+Na-2H]-	293.953606	160.6
[M]+	272.97839142	168.6
[M]-	272.97948858	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe