CID 260334

2,4-dichloro-9-fluorenone

Structural Information

Molecular Formula
C13H6Cl2O
SMILES
C1=CC=C2C(=C1)C3=C(C2=O)C=C(C=C3Cl)Cl
InChI
InChI=1S/C13H6Cl2O/c14-7-5-10-12(11(15)6-7)8-3-1-2-4-9(8)13(10)16/h1-6H
InChIKey
MIBTVQKTXMCJAB-UHFFFAOYSA-N
Compound name
2,4-dichlorofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

247.97957 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.98685 150.4
[M+Na]+ 270.96879 164.1
[M-H]- 246.97229 156.2
[M+NH4]+ 266.01339 173.6
[M+K]+ 286.94273 156.6
[M+H-H2O]+ 230.97683 146.5
[M+HCOO]- 292.97777 164.7
[M+CH3COO]- 306.99342 164.7
[M+Na-2H]- 268.95424 155.7
[M]+ 247.97902 155.6
[M]- 247.98012 155.6
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