CID 249692

9-(3,4-dichlorobenzylidene)fluorene

Structural Information

Molecular Formula
C20H12Cl2
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3C2=CC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C20H12Cl2/c21-19-10-9-13(12-20(19)22)11-18-16-7-3-1-5-14(16)15-6-2-4-8-17(15)18/h1-12H
InChIKey
SBCHRDLPDVXAEV-UHFFFAOYSA-N
Compound name
9-[(3,4-dichlorophenyl)methylidene]fluorene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.03162 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.03890 175.7
[M+Na]+ 345.02084 187.9
[M-H]- 321.02434 183.7
[M+NH4]+ 340.06544 195.4
[M+K]+ 360.99478 177.8
[M+H-H2O]+ 305.02888 169.2
[M+HCOO]- 367.02982 188.7
[M+CH3COO]- 381.04547 187.8
[M+Na-2H]- 343.00629 178.8
[M]+ 322.03107 179.5
[M]- 322.03217 179.5
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.