CID 4136497

882748-31-4

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]+ 278.074236 159.9
[M+Na]+ 300.056178 168.0
[M-H]- 276.059684 165.1
[M+NH4]+ 295.100783 176.5
[M+K]+ 316.030118 161.8
[M+H-H2O]+ 260.064220 152.2
[M+HCOO]- 322.065161 178.8
[M+CH3COO]- 336.080811 200.6
[M+Na-2H]- 298.041626 164.1
[M]+ 277.06641142 160.8
[M]- 277.06750858 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.