CID 459273

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

Structural Information

Molecular Formula
C15H10BrNO2
SMILES
CNC1=CC(=CC2=C1C(=O)C3=CC=CC=C3C2=O)Br
InChI
InChI=1S/C15H10BrNO2/c1-17-12-7-8(16)6-11-13(12)15(19)10-5-3-2-4-9(10)14(11)18/h2-7,17H,1H3
InChIKey
WPXIJAKWNBJNIE-UHFFFAOYSA-N
Compound name
3-bromo-1-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.9895 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.99678 160.9
[M+Na]+ 337.97872 173.7
[M-H]- 313.98222 169.2
[M+NH4]+ 333.02332 181.3
[M+K]+ 353.95266 161.2
[M+H-H2O]+ 297.98676 160.0
[M+HCOO]- 359.98770 180.6
[M+CH3COO]- 374.00335 175.2
[M+Na-2H]- 335.96417 168.6
[M]+ 314.98895 179.9
[M]- 314.99005 179.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.