CID 43198115

886369-21-7

Structural Information

Molecular Formula
C12H16F3N
SMILES
CC(C)(C)C1=CC=C(C=C1)C(C(F)(F)F)N
InChI
InChI=1S/C12H16F3N/c1-11(2,3)9-6-4-8(5-7-9)10(16)12(13,14)15/h4-7,10H,16H2,1-3H3
InChIKey
WBVVOROITVUGEO-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12349 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13077 150.1
[M+Na]+ 254.11271 157.3
[M-H]- 230.11621 149.5
[M+NH4]+ 249.15731 167.9
[M+K]+ 270.08665 154.3
[M+H-H2O]+ 214.12075 142.3
[M+HCOO]- 276.12169 166.7
[M+CH3COO]- 290.13734 194.3
[M+Na-2H]- 252.09816 153.6
[M]+ 231.12294 144.2
[M]- 231.12404 144.2
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.