CID 24212585

853313-53-8

Structural Information

Molecular Formula
C16H13F4NO
SMILES
C1=CC=C(C(=C1)C(F)(F)F)NC(=O)CCC2=CC(=CC=C2)F
InChI
InChI=1S/C16H13F4NO/c17-12-5-3-4-11(10-12)8-9-15(22)21-14-7-2-1-6-13(14)16(18,19)20/h1-7,10H,8-9H2,(H,21,22)
InChIKey
JBMHPALDGKSBHE-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-N-[2-(trifluoromethyl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.09332 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10060 167.6
[M+Na]+ 334.08254 175.2
[M-H]- 310.08604 169.1
[M+NH4]+ 329.12714 181.9
[M+K]+ 350.05648 169.8
[M+H-H2O]+ 294.09058 156.5
[M+HCOO]- 356.09152 185.8
[M+CH3COO]- 370.10717 207.2
[M+Na-2H]- 332.06799 170.5
[M]+ 311.09277 162.3
[M]- 311.09387 162.3
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.