CID 3100887

143210-98-4

Structural Information

Molecular Formula

C₁₆H₁₀ClNO₃

SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl

InChI

InChI=1S/C16H10ClNO3/c17-8-14(19)18-9-5-6-12-13(7-9)16(21)11-4-2-1-3-10(11)15(12)20/h1-7H,8H2,(H,18,19)

InChIKey

PISCNZOQCXLEAX-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
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]+	300.04218	162.2
[M+Na]+	322.02412	177.3
[M+NH4]+	317.06872	171.0
[M+K]+	337.99806	169.1
[M-H]-	298.02762	165.7
[M+Na-2H]-	320.00957	168.3
[M]+	299.03435	165.6
[M]-	299.03545	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe