CID 17844330

172953-70-7

Structural Information

Molecular Formula
C12H16F3N
SMILES
CCNC(C)CC1=CC=CC=C1C(F)(F)F
InChI
InChI=1S/C12H16F3N/c1-3-16-9(2)8-10-6-4-5-7-11(10)12(13,14)15/h4-7,9,16H,3,8H2,1-2H3
InChIKey
LKXHYVPQOWESNG-UHFFFAOYSA-N
Compound name
N-ethyl-1-[2-(trifluoromethyl)phenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

231.12349 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.130766 150.3
[M+Na]+ 254.112708 156.9
[M-H]- 230.116214 149.8
[M+NH4]+ 249.157313 168.2
[M+K]+ 270.086648 153.8
[M+H-H2O]+ 214.120750 141.8
[M+HCOO]- 276.121691 169.1
[M+CH3COO]- 290.137341 195.2
[M+Na-2H]- 252.098156 154.0
[M]+ 231.12294142 146.1
[M]- 231.12403858 146.1
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

patents stripe