CID 260556

64897-00-3

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC3=CC=C(C=C3)O

InChI

InChI=1S/C16H10ClNO3/c17-13-14(18-9-5-7-10(19)8-6-9)16(21)12-4-2-1-3-11(12)15(13)20/h1-8,18-19H

InChIKey

BAPUUJSXNSGXLT-UHFFFAOYSA-N

Compound name

2-chloro-3-(4-hydroxyanilino)naphthalene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 3
Patents: 299.0349 Da
Monoisotopic Mass: 2.8
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]+	300.04218	163.6
[M+Na]+	322.02412	179.9
[M+NH4]+	317.06872	172.4
[M+K]+	337.99806	171.4
[M-H]-	298.02762	168.9
[M+Na-2H]-	320.00957	172.0
[M]+	299.03435	167.8
[M]-	299.03545	167.8

Literature stripe

literature stripe

Patent stripe

patents stripe