CID 236652

2-chloro-3-morpholino-1,4-naphthoquinone

Structural Information

Molecular Formula

C₁₄H₁₂ClNO₃

SMILES

C1COCCN1C2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C14H12ClNO3/c15-11-12(16-5-7-19-8-6-16)14(18)10-4-2-1-3-9(10)13(11)17/h1-4H,5-8H2

InChIKey

KRGINZFLXQKIQZ-UHFFFAOYSA-N

Compound name

2-chloro-3-morpholin-4-ylnaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 214
Patents: 277.05057 Da
Monoisotopic Mass: 2.2
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]+	278.05785	158.1
[M+Na]+	300.03979	173.6
[M+NH4]+	295.08439	167.0
[M+K]+	316.01373	166.0
[M-H]-	276.04329	163.5
[M+Na-2H]-	298.02524	164.5
[M]+	277.05002	162.2
[M]-	277.05112	162.2

Literature stripe

literature stripe

Patent stripe

patents stripe