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 150.4
[M+Na]+ 254.11271 157.7
[M-H]- 230.11621 149.6
[M+NH4]+ 249.15731 168.1
[M+K]+ 270.08665 154.2
[M+H-H2O]+ 214.12075 142.4
[M+HCOO]- 276.12169 167.9
[M+CH3COO]- 290.13734 194.2
[M+Na-2H]- 252.09816 155.0
[M]+ 231.12294 145.2
[M]- 231.12404 145.2
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.