CID 2060432

3-(4-fluoroanilino)-1-(2-naphthyl)-1-propanone

Structural Information

Molecular Formula
C19H16FNO
SMILES
C1=CC=C2C=C(C=CC2=C1)C(=O)CCNC3=CC=C(C=C3)F
InChI
InChI=1S/C19H16FNO/c20-17-7-9-18(10-8-17)21-12-11-19(22)16-6-5-14-3-1-2-4-15(14)13-16/h1-10,13,21H,11-12H2
InChIKey
BSOWPBCBIGFFSJ-UHFFFAOYSA-N
Compound name
3-(4-fluoroanilino)-1-naphthalen-2-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.12158 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12886 167.0
[M+Na]+ 316.11080 173.7
[M-H]- 292.11430 172.8
[M+NH4]+ 311.15540 182.6
[M+K]+ 332.08474 167.8
[M+H-H2O]+ 276.11884 157.5
[M+HCOO]- 338.11978 188.7
[M+CH3COO]- 352.13543 178.0
[M+Na-2H]- 314.09625 172.6
[M]+ 293.12103 165.5
[M]- 293.12213 165.5
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.