CID 2779044

127733-46-4

Structural Information

Molecular Formula
C9H10F3N
SMILES
C[C@H](C1=CC=CC=C1C(F)(F)F)N
InChI
InChI=1S/C9H10F3N/c1-6(13)7-4-2-3-5-8(7)9(10,11)12/h2-6H,13H2,1H3/t6-/m1/s1
InChIKey
DPLIMKBGTYIUCB-ZCFIWIBFSA-N
Compound name
(1R)-1-[2-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

196
Patents

189.07654 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 136.6
[M+Na]+ 212.06576 144.6
[M-H]- 188.06926 136.2
[M+NH4]+ 207.11036 155.9
[M+K]+ 228.03970 141.8
[M+H-H2O]+ 172.07380 128.7
[M+HCOO]- 234.07474 155.8
[M+CH3COO]- 248.09039 185.4
[M+Na-2H]- 210.05121 140.9
[M]+ 189.07599 130.3
[M]- 189.07709 130.3
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