CID 43050

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

Structural Information

Molecular Formula

C₁₂H₉ClO₃

SMILES

CCOC1=C(C(=O)C2=CC=CC=C2C1=O)Cl

InChI

InChI=1S/C12H9ClO3/c1-2-16-12-9(13)10(14)7-5-3-4-6-8(7)11(12)15/h3-6H,2H2,1H3

InChIKey

YLULGOCHLLLHOM-UHFFFAOYSA-N

Compound name

2-chloro-3-ethoxynaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 26
Patents: 236.02402 Da
Monoisotopic Mass: 3.1
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]+	237.03130	145.0
[M+Na]+	259.01324	160.6
[M+NH4]+	254.05784	154.2
[M+K]+	274.98718	152.8
[M-H]-	235.01674	147.7
[M+Na-2H]-	256.99869	151.6
[M]+	236.02347	148.4
[M]-	236.02457	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe