CID 250626

2-acetamido-1,3,4,7-tetrachloro-9-fluorenone

Structural Information

Molecular Formula
C15H7Cl4NO2
SMILES
CC(=O)NC1=C(C2=C(C3=C(C2=O)C=C(C=C3)Cl)C(=C1Cl)Cl)Cl
InChI
InChI=1S/C15H7Cl4NO2/c1-5(21)20-14-12(18)10-9(11(17)13(14)19)7-3-2-6(16)4-8(7)15(10)22/h2-4H,1H3,(H,20,21)
InChIKey
JIQAHBXQKIPGHC-UHFFFAOYSA-N
Compound name
N-(1,3,4,7-tetrachloro-9-oxofluoren-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

372.9231 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.93038 180.3
[M+Na]+ 395.91232 193.6
[M-H]- 371.91582 183.5
[M+NH4]+ 390.95692 198.1
[M+K]+ 411.88626 186.1
[M+H-H2O]+ 355.92036 177.8
[M+HCOO]- 417.92130 183.1
[M+CH3COO]- 431.93695 190.8
[M+Na-2H]- 393.89777 179.4
[M]+ 372.92255 186.2
[M]- 372.92365 186.2
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

No patent data available for this compound.