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]+ 274.141336 160.2
[M+Na]+ 296.123278 166.6
[M-H]- 272.126784 159.9
[M+NH4]+ 291.167883 176.4
[M+K]+ 312.097218 164.0
[M+H-H2O]+ 256.131320 152.0
[M+HCOO]- 318.132261 176.3
[M+CH3COO]- 332.147911 202.9
[M+Na-2H]- 294.108726 162.8
[M]+ 273.13351142 156.3
[M]- 273.13460858 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.