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

4
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 172.5
[M+Na]+ 357.01682 184.8
[M-H]- 333.02032 178.1
[M+NH4]+ 352.06142 190.2
[M+K]+ 372.99076 177.6
[M+H-H2O]+ 317.02486 167.6
[M+HCOO]- 379.02580 185.9
[M+CH3COO]- 393.04145 216.7
[M+Na-2H]- 355.00227 176.8
[M]+ 334.02705 177.5
[M]- 334.02815 177.5
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