CID 3100887

143210-98-4

Structural Information

Molecular Formula
C16H10ClNO3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)CCl
InChI
InChI=1S/C16H10ClNO3/c17-8-14(19)18-9-5-6-12-13(7-9)16(21)11-4-2-1-3-10(11)15(12)20/h1-7H,8H2,(H,18,19)
InChIKey
PISCNZOQCXLEAX-UHFFFAOYSA-N
Compound name
2-chloro-N-(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 162.2
[M+Na]+ 322.02412 172.3
[M-H]- 298.02762 167.9
[M+NH4]+ 317.06872 180.3
[M+K]+ 337.99806 166.4
[M+H-H2O]+ 282.03216 156.1
[M+HCOO]- 344.03310 179.2
[M+CH3COO]- 358.04875 205.3
[M+Na-2H]- 320.00957 168.2
[M]+ 299.03435 165.3
[M]- 299.03545 165.3
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.