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]+ 258.128856 158.1
[M+Na]+ 280.110798 164.9
[M-H]- 256.114304 163.4
[M+NH4]+ 275.155403 174.6
[M+K]+ 296.084738 160.4
[M+H-H2O]+ 240.118840 149.5
[M+HCOO]- 302.119781 181.2
[M+CH3COO]- 316.135431 199.9
[M+Na-2H]- 278.096246 162.2
[M]+ 257.12103142 157.0
[M]- 257.12212858 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.