CID 85695677

F4ft

Structural Information

Molecular Formula
C22H20F2
SMILES
CCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)F)F
InChI
InChI=1S/C22H20F2/c1-2-3-4-16-5-7-17(8-6-16)19-11-14-21(22(24)15-19)18-9-12-20(23)13-10-18/h5-15H,2-4H2,1H3
InChIKey
WWNQGNINSMNOQK-UHFFFAOYSA-N
Compound name
4-(4-butylphenyl)-2-fluoro-1-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

322.15332 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16060 176.8
[M+Na]+ 345.14254 185.2
[M-H]- 321.14604 183.8
[M+NH4]+ 340.18714 191.0
[M+K]+ 361.11648 177.7
[M+H-H2O]+ 305.15058 165.7
[M+HCOO]- 367.15152 197.5
[M+CH3COO]- 381.16717 187.6
[M+Na-2H]- 343.12799 178.6
[M]+ 322.15277 175.3
[M]- 322.15387 175.3
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