CID 16776451

1181457-92-0

Structural Information

Molecular Formula
C12H14F3N
SMILES
CC(C1=CC(=CC=C1)C(F)(F)F)NC2CC2
InChI
InChI=1S/C12H14F3N/c1-8(16-11-5-6-11)9-3-2-4-10(7-9)12(13,14)15/h2-4,7-8,11,16H,5-6H2,1H3
InChIKey
FFAYIWCCLTWGEH-UHFFFAOYSA-N
Compound name
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopropanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.10783 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.11511 139.7
[M+Na]+ 252.09705 148.0
[M-H]- 228.10055 143.4
[M+NH4]+ 247.14165 152.8
[M+K]+ 268.07099 144.1
[M+H-H2O]+ 212.10509 130.6
[M+HCOO]- 274.10603 159.4
[M+CH3COO]- 288.12168 196.3
[M+Na-2H]- 250.08250 144.8
[M]+ 229.10728 137.0
[M]- 229.10838 137.0
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.