CID 43277114

1095127-74-4

Structural Information

Molecular Formula

C₁₂H₁₄F₃NO

SMILES

C1CC1NCC2=CC=C(C=C2)OCC(F)(F)F

InChI

InChI=1S/C12H14F3NO/c13-12(14,15)8-17-11-5-1-9(2-6-11)7-16-10-3-4-10/h1-2,5-6,10,16H,3-4,7-8H2

InChIKey

HTJWWDQOWVBEHP-UHFFFAOYSA-N

Compound name

N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopropanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 245.10275 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	246.110026	144.3
[M+Na]+	268.091968	152.8
[M-H]-	244.095474	147.8
[M+NH4]+	263.136573	156.7
[M+K]+	284.065908	148.8
[M+H-H2O]+	228.100010	134.9
[M+HCOO]-	290.100951	165.1
[M+CH3COO]-	304.116601	197.5
[M+Na-2H]-	266.077416	150.4
[M]+	245.10220142	143.6
[M]-	245.10329858	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.