CID 1988106

2-[4-(trifluoromethyl)phenyl]ethan-1-amine

Structural Information

Molecular Formula
C9H10F3N
SMILES
C1=CC(=CC=C1CCN)C(F)(F)F
InChI
InChI=1S/C9H10F3N/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6,13H2
InChIKey
HMFOBPNVAAAACP-UHFFFAOYSA-N
Compound name
2-[4-(trifluoromethyl)phenyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

731
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 136.5
[M+Na]+ 212.06576 144.7
[M-H]- 188.06926 135.9
[M+NH4]+ 207.11036 155.9
[M+K]+ 228.03970 141.5
[M+H-H2O]+ 172.07380 128.5
[M+HCOO]- 234.07474 156.7
[M+CH3COO]- 248.09039 184.6
[M+Na-2H]- 210.05121 142.0
[M]+ 189.07599 130.9
[M]- 189.07709 130.9
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