CID 378295

Nsc660299

Structural Information

Molecular Formula

C₁₀H₆Cl₂N₂O₂

SMILES

C1=CC=C(C(=C1)N)N2C(=O)C(=C(C2=O)Cl)Cl

InChI

InChI=1S/C10H6Cl2N2O2/c11-7-8(12)10(16)14(9(7)15)6-4-2-1-3-5(6)13/h1-4H,13H2

InChIKey

NUTCUMGKCISKQD-UHFFFAOYSA-N

Compound name

1-(2-aminophenyl)-3,4-dichloropyrrole-2,5-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 255.98064 Da
Monoisotopic Mass: 2.0
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]+	256.98792	152.2
[M+Na]+	278.96986	164.6
[M-H]-	254.97336	157.6
[M+NH4]+	274.01446	170.9
[M+K]+	294.94380	158.2
[M+H-H2O]+	238.97790	146.8
[M+HCOO]-	300.97884	167.2
[M+CH3COO]-	314.99449	193.7
[M+Na-2H]-	276.95531	153.2
[M]+	255.98009	154.4
[M]-	255.98119	154.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.