CID 66530

84-42-4

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
CC(=O)NC1=C(C=C2C(=C1)C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C16H10ClNO3/c1-8(19)18-14-7-12-11(6-13(14)17)15(20)9-4-2-3-5-10(9)16(12)21/h2-7H,1H3,(H,18,19)
InChIKey
AHCFUKJIRUAIDZ-UHFFFAOYSA-N
Compound name
N-(3-chloro-9,10-dioxoanthracen-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

299.0349 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.04218 162.1
[M+Na]+ 322.02412 173.2
[M-H]- 298.02762 168.2
[M+NH4]+ 317.06872 180.6
[M+K]+ 337.99806 167.4
[M+H-H2O]+ 282.03216 156.4
[M+HCOO]- 344.03310 179.2
[M+CH3COO]- 358.04875 206.6
[M+Na-2H]- 320.00957 167.5
[M]+ 299.03435 165.7
[M]- 299.03545 165.7
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