CID 3100888

2-chloro-n-(3-chloro-9,10-dioxo-9,10-dihydroanthracen-2-yl)acetamide

Structural Information

Molecular Formula
C16H9Cl2NO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=CC(=C(C=C3C2=O)Cl)NC(=O)CCl
InChI
InChI=1S/C16H9Cl2NO3/c17-7-14(20)19-13-6-11-10(5-12(13)18)15(21)8-3-1-2-4-9(8)16(11)22/h1-6H,7H2,(H,19,20)
InChIKey
ZBBVALVBAUOYBG-UHFFFAOYSA-N
Compound name
2-chloro-N-(3-chloro-9,10-dioxoanthracen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.99594 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.00322 168.3
[M+Na]+ 355.98516 179.7
[M-H]- 331.98866 173.6
[M+NH4]+ 351.02976 185.8
[M+K]+ 371.95910 172.9
[M+H-H2O]+ 315.99320 163.4
[M+HCOO]- 377.99414 180.3
[M+CH3COO]- 392.00979 210.8
[M+Na-2H]- 353.97061 172.8
[M]+ 332.99539 173.3
[M]- 332.99649 173.3
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.