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: 250
Patents: 247.97957 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	248.98685	146.7
[M+Na]+	270.96879	164.3
[M+NH4]+	266.01339	158.1
[M+K]+	286.94273	156.0
[M-H]-	246.97229	150.8
[M+Na-2H]-	268.95424	154.2
[M]+	247.97902	151.3
[M]-	247.98012	151.3

Literature stripe

literature stripe

Patent stripe

patents stripe