CID 82608400

1-[4-(2,2,2-trifluoroethyl)phenyl]ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C10H12F3N
SMILES
CC(C1=CC=C(C=C1)CC(F)(F)F)N
InChI
InChI=1S/C10H12F3N/c1-7(14)9-4-2-8(3-5-9)6-10(11,12)13/h2-5,7H,6,14H2,1H3
InChIKey
GPXYMXRSCUOXBH-UHFFFAOYSA-N
Compound name
1-[4-(2,2,2-trifluoroethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.09218 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.09946 146.4
[M+Na]+ 226.08140 154.8
[M+NH4]+ 221.12600 152.4
[M+K]+ 242.05534 149.6
[M-H]- 202.08490 144.2
[M+Na-2H]- 224.06685 150.5
[M]+ 203.09163 146.7
[M]- 203.09273 146.7
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.