CID 15941933

1-{[1,1'-biphenyl]-4-yl}-2,2,2-trifluoroethan-1-amine hydrochloride

Structural Information

Molecular Formula
C14H12F3N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(C(F)(F)F)N
InChI
InChI=1S/C14H12F3N/c15-14(16,17)13(18)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,18H2
InChIKey
CPLKUCUJUJTRNL-UHFFFAOYSA-N
Compound name
2,2,2-trifluoro-1-(4-phenylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

251.09218 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09946 153.3
[M+Na]+ 274.08140 160.5
[M-H]- 250.08490 155.5
[M+NH4]+ 269.12600 169.6
[M+K]+ 290.05534 155.6
[M+H-H2O]+ 234.08944 143.6
[M+HCOO]- 296.09038 172.2
[M+CH3COO]- 310.10603 196.1
[M+Na-2H]- 272.06685 157.5
[M]+ 251.09163 146.4
[M]- 251.09273 146.4
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

patents stripe