CID 3829551

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

Structural Information

Molecular Formula
C16H14F3NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=C(C(=C(C=C2)F)F)F
InChI
InChI=1S/C16H14F3NO/c1-10-2-4-11(5-3-10)14(21)8-9-20-13-7-6-12(17)15(18)16(13)19/h2-7,20H,8-9H2,1H3
InChIKey
OAETYRKOMOCPTB-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-(2,3,4-trifluoroanilino)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.10275 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.11003 169.0
[M+Na]+ 316.09197 180.0
[M+NH4]+ 311.13657 174.7
[M+K]+ 332.06591 172.6
[M-H]- 292.09547 169.3
[M+Na-2H]- 314.07742 174.7
[M]+ 293.10220 170.4
[M]- 293.10330 170.4
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.