CID 3058415

Propiophenone, 2-(tert-butylamino)-3'-(trifluoromethyl)-, hydrochloride

Structural Information

Molecular Formula
C14H18F3NO
SMILES
CC(C(=O)C1=CC(=CC=C1)C(F)(F)F)NC(C)(C)C
InChI
InChI=1S/C14H18F3NO/c1-9(18-13(2,3)4)12(19)10-6-5-7-11(8-10)14(15,16)17/h5-9,18H,1-4H3
InChIKey
RBXLVNSTWJKKJH-UHFFFAOYSA-N
Compound name
2-(tert-butylamino)-1-[3-(trifluoromethyl)phenyl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.13406 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14134 160.2
[M+Na]+ 296.12328 166.6
[M-H]- 272.12678 159.9
[M+NH4]+ 291.16788 176.4
[M+K]+ 312.09722 164.0
[M+H-H2O]+ 256.13132 152.0
[M+HCOO]- 318.13226 176.3
[M+CH3COO]- 332.14791 202.9
[M+Na-2H]- 294.10873 162.8
[M]+ 273.13351 156.3
[M]- 273.13461 156.3
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.