CID 2060431

3-(4-fluoroanilino)-1-(4-methylphenyl)-1-propanone

Structural Information

Molecular Formula
C16H16FNO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)F
InChI
InChI=1S/C16H16FNO/c1-12-2-4-13(5-3-12)16(19)10-11-18-15-8-6-14(17)7-9-15/h2-9,18H,10-11H2,1H3
InChIKey
GKGVHGSYMISIIQ-UHFFFAOYSA-N
Compound name
3-(4-fluoroanilino)-1-(4-methylphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.12158 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12886 158.1
[M+Na]+ 280.11080 164.9
[M-H]- 256.11430 163.4
[M+NH4]+ 275.15540 174.6
[M+K]+ 296.08474 160.4
[M+H-H2O]+ 240.11884 149.5
[M+HCOO]- 302.11978 181.2
[M+CH3COO]- 316.13543 199.9
[M+Na-2H]- 278.09625 162.2
[M]+ 257.12103 157.0
[M]- 257.12213 157.0
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.