CID 31418

128-93-8

Structural Information

Molecular Formula

C₁₅H₁₀BrNO₂

SMILES

CNC1=C2C(=C(C=C1)Br)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C15H10BrNO2/c1-17-11-7-6-10(16)12-13(11)15(19)9-5-3-2-4-8(9)14(12)18/h2-7,17H,1H3

InChIKey

IIPRUQZTMZETSL-UHFFFAOYSA-N

Compound name

1-bromo-4-(methylamino)anthracene-9,10-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 238
Patents: 314.9895 Da
Monoisotopic Mass: 4.1
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]+	315.99678	158.5
[M+Na]+	337.97872	163.9
[M+NH4]+	333.02332	164.1
[M+K]+	353.95266	162.2
[M-H]-	313.98222	161.0
[M+Na-2H]-	335.96417	161.8
[M]+	314.98895	158.9
[M]-	314.99005	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe