CID 210137

21015-08-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.1184 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12568 169.2
[M+Na]+ 330.10762 175.0
[M-H]- 306.11112 171.5
[M+NH4]+ 325.15222 183.3
[M+K]+ 346.08156 170.3
[M+H-H2O]+ 290.11566 158.8
[M+HCOO]- 352.11660 187.1
[M+CH3COO]- 366.13225 207.1
[M+Na-2H]- 328.09307 171.7
[M]+ 307.11785 164.4
[M]- 307.11895 164.4
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.