CID 62740976

1439900-40-9

Structural Information

Molecular Formula
C12H16F3N
SMILES
CC(C)(CC1=CC=C(C=C1)C(F)(F)F)CN
InChI
InChI=1S/C12H16F3N/c1-11(2,8-16)7-9-3-5-10(6-4-9)12(13,14)15/h3-6H,7-8,16H2,1-2H3
InChIKey
QVKKYMFKHJOGPP-UHFFFAOYSA-N
Compound name
2,2-dimethyl-3-[4-(trifluoromethyl)phenyl]propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12349 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13077 155.8
[M+Na]+ 254.11271 163.9
[M+NH4]+ 249.15731 161.4
[M+K]+ 270.08665 158.6
[M-H]- 230.11621 153.2
[M+Na-2H]- 252.09816 159.6
[M]+ 231.12294 156.0
[M]- 231.12404 156.0
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.