CID 16782340

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

Structural Information

Molecular Formula
C10H12F3NO
SMILES
CC(C1=CC=C(C=C1)OCC(F)(F)F)N
InChI
InChI=1S/C10H12F3NO/c1-7(14)8-2-4-9(5-3-8)15-6-10(11,12)13/h2-5,7H,6,14H2,1H3
InChIKey
ZARTWYNUPAMSJI-UHFFFAOYSA-N
Compound name
1-[4-(2,2,2-trifluoroethoxy)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

219.0871 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09438 149.2
[M+Na]+ 242.07632 157.1
[M+NH4]+ 237.12092 154.6
[M+K]+ 258.05026 152.4
[M-H]- 218.07982 146.5
[M+Na-2H]- 240.06177 152.9
[M]+ 219.08655 149.2
[M]- 219.08765 149.2
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