CID 4962181

N-benzyl-2,2,2-trifluoroethanamine

Structural Information

Molecular Formula
C9H10F3N
SMILES
C1=CC=C(C=C1)CNCC(F)(F)F
InChI
InChI=1S/C9H10F3N/c10-9(11,12)7-13-6-8-4-2-1-3-5-8/h1-5,13H,6-7H2
InChIKey
VESAIDYCLWTAAV-UHFFFAOYSA-N
Compound name
N-benzyl-2,2,2-trifluoroethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

189.07654 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08382 141.5
[M+Na]+ 212.06576 150.4
[M+NH4]+ 207.11036 147.9
[M+K]+ 228.03970 144.3
[M-H]- 188.06926 139.6
[M+Na-2H]- 210.05121 146.9
[M]+ 189.07599 142.0
[M]- 189.07709 142.0
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