CID 80527

2,7-dichloro-9-fluorenone

Structural Information

Molecular Formula
C13H6Cl2O
SMILES
C1=CC2=C(C=C1Cl)C(=O)C3=C2C=CC(=C3)Cl
InChI
InChI=1S/C13H6Cl2O/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(16)11(9)5-7/h1-6H
InChIKey
HEYWYQQFXVEUSH-UHFFFAOYSA-N
Compound name
2,7-dichlorofluoren-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

255
Patents

247.97957 Da
Monoisotopic Mass

4.4
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

literature stripe

Patent stripe

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