CID 201368

(+)-alpha-methyl-n-(m-(trifluoromethyl)benzyl)phenethylamine hydrochloride

Structural Information

Molecular Formula
C17H18F3N
SMILES
CC(CC1=CC=CC=C1)NCC2=CC(=CC=C2)C(F)(F)F
InChI
InChI=1S/C17H18F3N/c1-13(10-14-6-3-2-4-7-14)21-12-15-8-5-9-16(11-15)17(18,19)20/h2-9,11,13,21H,10,12H2,1H3
InChIKey
RMMGFJDNVPQLEZ-UHFFFAOYSA-N
Compound name
1-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.13913 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.14641 166.8
[M+Na]+ 316.12835 172.6
[M-H]- 292.13185 169.0
[M+NH4]+ 311.17295 181.6
[M+K]+ 332.10229 167.4
[M+H-H2O]+ 276.13639 156.4
[M+HCOO]- 338.13733 185.3
[M+CH3COO]- 352.15298 205.7
[M+Na-2H]- 314.11380 170.4
[M]+ 293.13858 162.0
[M]- 293.13968 162.0
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.