CID 66530

84-42-4

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₃

SMILES

CC(=O)NC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)Cl

InChI

InChI=1S/C16H10ClNO3/c1-8(19)18-14-7-12-11(6-13(14)17)15(20)9-4-2-3-5-10(9)16(12)21/h2-7H,1H3,(H,18,19)

InChIKey

AHCFUKJIRUAIDZ-UHFFFAOYSA-N

Compound name

N-(3-chloro-9,10-dioxoanthracen-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 42
Patents: 299.0349 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]+	300.042176	162.1
[M+Na]+	322.024118	173.2
[M-H]-	298.027624	168.2
[M+NH4]+	317.068723	180.6
[M+K]+	337.998058	167.4
[M+H-H2O]+	282.032160	156.4
[M+HCOO]-	344.033101	179.2
[M+CH3COO]-	358.048751	206.6
[M+Na-2H]-	320.009566	167.5
[M]+	299.03435142	165.7
[M]-	299.03544858	165.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe