CID 4225710

477334-19-3

Structural Information

Molecular Formula
C17H16F3NO
SMILES
CC1=CC=C(C=C1)C(=O)CCNC2=CC=C(C=C2)C(F)(F)F
InChI
InChI=1S/C17H16F3NO/c1-12-2-4-13(5-3-12)16(22)10-11-21-15-8-6-14(7-9-15)17(18,19)20/h2-9,21H,10-11H2,1H3
InChIKey
PQFNEERWSMARDW-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-3-[4-(trifluoromethyl)anilino]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1184 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12568 169.0
[M+Na]+ 330.10762 176.0
[M-H]- 306.11112 171.6
[M+NH4]+ 325.15222 183.4
[M+K]+ 346.08156 170.8
[M+H-H2O]+ 290.11566 158.7
[M+HCOO]- 352.11660 188.0
[M+CH3COO]- 366.13225 208.1
[M+Na-2H]- 328.09307 172.0
[M]+ 307.11785 165.3
[M]- 307.11895 165.3
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.