CID 94382

Quinonamid

Structural Information

Molecular Formula

C₁₂H₆Cl₃NO₃

SMILES

C1=CC=C2C(=C1)C(=O)C(=C(C2=O)Cl)NC(=O)C(Cl)Cl

InChI

InChI=1S/C12H6Cl3NO3/c13-7-8(16-12(19)11(14)15)10(18)6-4-2-1-3-5(6)9(7)17/h1-4,11H,(H,16,19)

InChIKey

ZIEWAMOXCOLNSJ-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-(3-chloro-1,4-dioxonaphthalen-2-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6332
Patents: 316.9413 Da
Monoisotopic Mass: 3.0
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]+	317.948576	159.7
[M+Na]+	339.930518	170.3
[M-H]-	315.934024	163.1
[M+NH4]+	334.975123	176.7
[M+K]+	355.904458	164.3
[M+H-H2O]+	299.938560	156.7
[M+HCOO]-	361.939501	167.2
[M+CH3COO]-	375.955151	205.7
[M+Na-2H]-	337.915966	161.8
[M]+	316.94075142	163.7
[M]-	316.94184858	163.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe