CID 11141804

1,4'-bis(4-fluorobenzoyl)benzene

Structural Information

Molecular Formula
C20H12F2O2
SMILES
C1=CC(=CC=C1C(=O)C2=CC=C(C=C2)F)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C20H12F2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H
InChIKey
LLJNTLUXOZPFQB-UHFFFAOYSA-N
Compound name
[4-(4-fluorobenzoyl)phenyl]-(4-fluorophenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

795
Patents

322.08054 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.08782 172.3
[M+Na]+ 345.06976 180.3
[M-H]- 321.07326 179.5
[M+NH4]+ 340.11436 185.6
[M+K]+ 361.04370 174.4
[M+H-H2O]+ 305.07780 161.4
[M+HCOO]- 367.07874 192.4
[M+CH3COO]- 381.09439 209.0
[M+Na-2H]- 343.05521 173.6
[M]+ 322.07999 169.9
[M]- 322.08109 169.9
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

patents stripe