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 159.9
[M+Na]+ 300.05618 168.0
[M-H]- 276.05968 165.1
[M+NH4]+ 295.10078 176.5
[M+K]+ 316.03012 161.8
[M+H-H2O]+ 260.06422 152.2
[M+HCOO]- 322.06516 178.8
[M+CH3COO]- 336.08081 200.6
[M+Na-2H]- 298.04163 164.1
[M]+ 277.06641 160.8
[M]- 277.06751 160.8
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.