CID 120916

Brn 2109368

Structural Information

Molecular Formula
C12H16F3N
SMILES
CC(CC1=CC=C(C=C1)C(F)(F)F)N(C)C
InChI
InChI=1S/C12H16F3N/c1-9(16(2)3)8-10-4-6-11(7-5-10)12(13,14)15/h4-7,9H,8H2,1-3H3
InChIKey
SIXKJDBUKISIJL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-1-[4-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12349 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.130766 149.8
[M+Na]+ 254.112708 156.7
[M-H]- 230.116214 150.8
[M+NH4]+ 249.157313 168.4
[M+K]+ 270.086648 154.9
[M+H-H2O]+ 214.120750 141.1
[M+HCOO]- 276.121691 169.1
[M+CH3COO]- 290.137341 198.7
[M+Na-2H]- 252.098156 152.8
[M]+ 231.12294142 146.9
[M]- 231.12403858 146.9
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.