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
2
Annotation Hits

0
References

3
Patents

334.0276 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.03488 170.5
[M+Na]+ 357.01682 186.6
[M+NH4]+ 352.06142 179.8
[M+K]+ 372.99076 177.3
[M-H]- 333.02032 175.1
[M+Na-2H]- 355.00227 176.3
[M]+ 334.02705 174.8
[M]- 334.02815 174.8
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

patents stripe