CID 3084759

39923-17-6

Structural Information

Molecular Formula
C21H10Cl2N2O5
SMILES
C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=C(C=CC(=C4C2=O)Cl)Cl
InChI
InChI=1S/C21H10Cl2N2O5/c22-13-8-9-14(23)18-17(13)19(26)12-2-1-3-15(16(12)20(18)27)24-21(28)10-4-6-11(7-5-10)25(29)30/h1-9H,(H,24,28)
InChIKey
RCTODXKEYLZWSP-UHFFFAOYSA-N
Compound name
N-(5,8-dichloro-9,10-dioxoanthracen-1-yl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

439.99667 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.00395 197.1
[M+Na]+ 462.98589 205.4
[M-H]- 438.98939 204.6
[M+NH4]+ 458.03049 208.2
[M+K]+ 478.95983 195.4
[M+H-H2O]+ 422.99393 194.2
[M+HCOO]- 484.99487 208.9
[M+CH3COO]- 499.01052 225.2
[M+Na-2H]- 460.97134 201.3
[M]+ 439.99612 201.0
[M]- 439.99722 201.0
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

patents stripe