CID 4136497

3-(4-chloroanilino)-1-(4-fluorophenyl)-1-propanone

Structural Information

Molecular Formula
C15H13ClFNO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=CC=C(C=C2)Cl)F
InChI
InChI=1S/C15H13ClFNO/c16-12-3-7-14(8-4-12)18-10-9-15(19)11-1-5-13(17)6-2-11/h1-8,18H,9-10H2
InChIKey
MMCYZKQIBBGZBG-UHFFFAOYSA-N
Compound name
3-(4-chloroanilino)-1-(4-fluorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.06696 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.07424 160.5
[M+Na]+ 300.05618 174.7
[M+NH4]+ 295.10078 168.9
[M+K]+ 316.03012 166.0
[M-H]- 276.05968 164.4
[M+Na-2H]- 298.04163 169.5
[M]+ 277.06641 163.9
[M]- 277.06751 163.9
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.