CID 80763

6373-31-5

Structural Information

Molecular Formula
C21H8Cl3NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C=C4C(=C3C2=O)NC5=C(C4=O)C=C(C=C5Cl)Cl)Cl
InChI
InChI=1S/C21H8Cl3NO3/c22-8-5-11-17(14(24)6-8)25-18-12(19(11)26)7-13(23)15-16(18)21(28)10-4-2-1-3-9(10)20(15)27/h1-7H,(H,25,26)
InChIKey
SQAQTWYUQXFOMH-UHFFFAOYSA-N
Compound name
6,10,12-trichloro-13H-naphtho[2,3-c]acridine-5,8,14-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

426.95697 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.96425 189.0
[M+Na]+ 449.94619 204.7
[M-H]- 425.94969 193.0
[M+NH4]+ 444.99079 203.3
[M+K]+ 465.92013 195.8
[M+H-H2O]+ 409.95423 182.0
[M+HCOO]- 471.95517 191.4
[M+CH3COO]- 485.97082 199.1
[M+Na-2H]- 447.93164 193.6
[M]+ 426.95642 196.5
[M]- 426.95752 196.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe