CID 265048

3,8-dichloro-6-phenanthridinol

Structural Information

Molecular Formula

C₁₃H₇Cl₂NO

SMILES

C1=CC2=C(C=C1Cl)C(=O)NC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C13H7Cl2NO/c14-7-1-3-9-10-4-2-8(15)6-12(10)16-13(17)11(9)5-7/h1-6H,(H,16,17)

InChIKey

ULVYYNCKNGTVHX-UHFFFAOYSA-N

Compound name

3,8-dichloro-5H-phenanthridin-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 14
Patents: 262.99048 Da
Monoisotopic Mass: 3.7
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]+	263.99776	149.4
[M+Na]+	285.97970	163.5
[M-H]-	261.98320	152.5
[M+NH4]+	281.02430	168.2
[M+K]+	301.95364	155.3
[M+H-H2O]+	245.98774	144.0
[M+HCOO]-	307.98868	161.5
[M+CH3COO]-	322.00433	162.6
[M+Na-2H]-	283.96515	158.2
[M]+	262.98993	154.0
[M]-	262.99103	154.0

Literature stripe

literature stripe

Patent stripe

patents stripe