CID 3058918

2,3,6,7-tetrachlorofluorenone

Structural Information

Molecular Formula
C13H4Cl4O
SMILES
C1=C2C3=CC(=C(C=C3C(=O)C2=CC(=C1Cl)Cl)Cl)Cl
InChI
InChI=1S/C13H4Cl4O/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4H
InChIKey
DGANQDIFKXQOEF-UHFFFAOYSA-N
Compound name
2,3,6,7-tetrachlorofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.9016 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.90888 165.9
[M+Na]+ 338.89082 180.2
[M-H]- 314.89432 168.8
[M+NH4]+ 333.93542 185.9
[M+K]+ 354.86476 172.4
[M+H-H2O]+ 298.89886 163.1
[M+HCOO]- 360.89980 168.8
[M+CH3COO]- 374.91545 177.6
[M+Na-2H]- 336.87627 166.9
[M]+ 315.90105 170.9
[M]- 315.90215 170.9
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.