CID 3052541

Brn 2138899

Structural Information

Molecular Formula
C15H14F3N
SMILES
C1=CC=C(C=C1)C(CC2=CC(=CC=C2)C(F)(F)F)N
InChI
InChI=1S/C15H14F3N/c16-15(17,18)13-8-4-5-11(9-13)10-14(19)12-6-2-1-3-7-12/h1-9,14H,10,19H2
InChIKey
HEGMAOBTPAUJNC-UHFFFAOYSA-N
Compound name
1-phenyl-2-[3-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10785 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11513 158.0
[M+Na]+ 288.09707 164.7
[M-H]- 264.10057 160.0
[M+NH4]+ 283.14167 173.7
[M+K]+ 304.07101 159.6
[M+H-H2O]+ 248.10511 148.1
[M+HCOO]- 310.10605 176.6
[M+CH3COO]- 324.12170 199.1
[M+Na-2H]- 286.08252 161.7
[M]+ 265.10730 151.5
[M]- 265.10840 151.5
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.