CID 63197894

3-[2-(trifluoromethyl)phenyl]butan-2-amine

Structural Information

Molecular Formula
C11H14F3N
SMILES
CC(C1=CC=CC=C1C(F)(F)F)C(C)N
InChI
InChI=1S/C11H14F3N/c1-7(8(2)15)9-5-3-4-6-10(9)11(12,13)14/h3-8H,15H2,1-2H3
InChIKey
UQBSLKCKICAAGQ-UHFFFAOYSA-N
Compound name
3-[2-(trifluoromethyl)phenyl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.10783 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.115106 146.0
[M+Na]+ 240.097048 152.8
[M-H]- 216.100554 145.3
[M+NH4]+ 235.141653 164.1
[M+K]+ 256.070988 150.1
[M+H-H2O]+ 200.105090 137.8
[M+HCOO]- 262.106031 163.5
[M+CH3COO]- 276.121681 192.4
[M+Na-2H]- 238.082496 148.0
[M]+ 217.10728142 139.8
[M]- 217.10837858 139.8
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.