CID 459271

6-chloro-1-(methylamino)anthracene-9,10-dione

Structural Information

Molecular Formula
C15H10ClNO2
SMILES
CNC1=CC=CC2=C1C(=O)C3=C(C2=O)C=C(C=C3)Cl
InChI
InChI=1S/C15H10ClNO2/c1-17-12-4-2-3-10-13(12)15(19)9-6-5-8(16)7-11(9)14(10)18/h2-7,17H,1H3
InChIKey
RTHNQTXZZLIHLE-UHFFFAOYSA-N
Compound name
6-chloro-1-(methylamino)anthracene-9,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

271.04 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.04728 155.9
[M+Na]+ 294.02922 167.5
[M-H]- 270.03272 162.1
[M+NH4]+ 289.07382 175.7
[M+K]+ 310.00316 161.3
[M+H-H2O]+ 254.03726 150.2
[M+HCOO]- 316.03820 173.9
[M+CH3COO]- 330.05385 169.2
[M+Na-2H]- 292.01467 162.7
[M]+ 271.03945 159.0
[M]- 271.04055 159.0
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.