CID 175269

72918-26-4

Structural Information

Molecular Formula

C₁₆H₁₂Cl₂N₂O₂

SMILES

CNC1=C(C(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)NC)Cl)Cl

InChI

InChI=1S/C16H12Cl2N2O2/c1-19-13-9-10(14(20-2)12(18)11(13)17)16(22)8-6-4-3-5-7(8)15(9)21/h3-6,19-20H,1-2H3

InChIKey

HBXFQISVGNEFQU-UHFFFAOYSA-N

Compound name

2,3-dichloro-1,4-bis(methylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 4
Patents: 334.0276 Da
Monoisotopic Mass: 5.2
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]+	335.034876	172.5
[M+Na]+	357.016818	184.8
[M-H]-	333.020324	178.1
[M+NH4]+	352.061423	190.2
[M+K]+	372.990758	177.6
[M+H-H2O]+	317.024860	167.6
[M+HCOO]-	379.025801	185.9
[M+CH3COO]-	393.041451	216.7
[M+Na-2H]-	355.002266	176.8
[M]+	334.02705142	177.5
[M]-	334.02814858	177.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe