CID 3056799

73839-94-8

Structural Information

Molecular Formula
C11H14F3N
SMILES
CC(CCC1=CC(=CC=C1)C(F)(F)F)N
InChI
InChI=1S/C11H14F3N/c1-8(15)5-6-9-3-2-4-10(7-9)11(12,13)14/h2-4,7-8H,5-6,15H2,1H3
InChIKey
QPVLCHKIGUQAOL-UHFFFAOYSA-N
Compound name
4-[3-(trifluoromethyl)phenyl]butan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
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 146.1
[M+Na]+ 240.097048 153.2
[M-H]- 216.100554 145.3
[M+NH4]+ 235.141653 164.3
[M+K]+ 256.070988 149.9
[M+H-H2O]+ 200.105090 137.8
[M+HCOO]- 262.106031 164.6
[M+CH3COO]- 276.121681 191.5
[M+Na-2H]- 238.082496 149.3
[M]+ 217.10728142 140.5
[M]- 217.10837858 140.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe