CID 14161

1090-16-0

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₂

SMILES

C1=CC=C(C=C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C16H10ClNO2/c17-13-14(18-10-6-2-1-3-7-10)16(20)12-9-5-4-8-11(12)15(13)19/h1-9,18H

InChIKey

CIWCIDRTACZSAZ-UHFFFAOYSA-N

Compound name

2-anilino-3-chloronaphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 13
References: 27
Patents: 283.04 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]+	284.04728	160.3
[M+Na]+	306.02922	170.6
[M-H]-	282.03272	168.4
[M+NH4]+	301.07382	178.0
[M+K]+	322.00316	164.1
[M+H-H2O]+	266.03726	153.4
[M+HCOO]-	328.03820	179.6
[M+CH3COO]-	342.05385	173.2
[M+Na-2H]-	304.01467	166.6
[M]+	283.03945	162.1
[M]-	283.04055	162.1

Literature stripe

literature stripe

Patent stripe

patents stripe