CID 4283804

279672-36-5

Structural Information

Molecular Formula
C21H18FNO
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CCNC3=CC=C(C=C3)F
InChI
InChI=1S/C21H18FNO/c22-19-10-12-20(13-11-19)23-15-14-21(24)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-13,23H,14-15H2
InChIKey
FCBNWNOELVJPRT-UHFFFAOYSA-N
Compound name
3-(4-fluoroanilino)-1-(4-phenylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.13724 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14452 175.4
[M+Na]+ 342.12646 181.2
[M-H]- 318.12996 183.3
[M+NH4]+ 337.17106 188.6
[M+K]+ 358.10040 174.9
[M+H-H2O]+ 302.13450 164.9
[M+HCOO]- 364.13544 197.9
[M+CH3COO]- 378.15109 210.8
[M+Na-2H]- 340.11191 179.2
[M]+ 319.13669 173.2
[M]- 319.13779 173.2
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

No patent data available for this compound.