CID 2847540

29176-54-3

Structural Information

Molecular Formula

C₁₃H₉ClN₂O

SMILES

CN1C(=O)C=CC2=C1C3=C(C=C2)C=CC(=N3)Cl

InChI

InChI=1S/C13H9ClN2O/c1-16-11(17)7-5-9-3-2-8-4-6-10(14)15-12(8)13(9)16/h2-7H,1H3

InChIKey

YXXDYYVBJXXVFC-UHFFFAOYSA-N

Compound name

9-chloro-1-methyl-1,10-phenanthrolin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 244.04034 Da
Monoisotopic Mass: 2.7
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]+	245.04762	149.0
[M+Na]+	267.02956	168.6
[M+NH4]+	262.07416	159.0
[M+K]+	283.00350	158.9
[M-H]-	243.03306	152.8
[M+Na-2H]-	265.01501	158.3
[M]+	244.03979	153.5
[M]-	244.04089	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe