CID 4405165

1-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)-1-propanone

Structural Information

Molecular Formula
C15H11ClF3NO
SMILES
C1=CC(=CC=C1C(=O)CCNC2=C(C(=C(C=C2)F)F)F)Cl
InChI
InChI=1S/C15H11ClF3NO/c16-10-3-1-9(2-4-10)13(21)7-8-20-12-6-5-11(17)14(18)15(12)19/h1-6,20H,7-8H2
InChIKey
MUCLQPDKMZMCMD-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(2,3,4-trifluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.04813 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.05541 164.8
[M+Na]+ 336.03735 174.8
[M-H]- 312.04085 167.9
[M+NH4]+ 331.08195 180.3
[M+K]+ 352.01129 167.8
[M+H-H2O]+ 296.04539 155.4
[M+HCOO]- 358.04633 181.5
[M+CH3COO]- 372.06198 208.4
[M+Na-2H]- 334.02280 166.2
[M]+ 313.04758 164.2
[M]- 313.04868 164.2
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.