CID 12967648

Benzyl(3,3,3-trifluoropropyl)amine

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

C1=CC=C(C=C1)CNCCC(F)(F)F

InChI

InChI=1S/C10H12F3N/c11-10(12,13)6-7-14-8-9-4-2-1-3-5-9/h1-5,14H,6-8H2

InChIKey

ABZBPAZWTDQHLE-UHFFFAOYSA-N

Compound name

N-benzyl-3,3,3-trifluoropropan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 203.09218 Da
Monoisotopic Mass: 2.8
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]+	204.099456	140.9
[M+Na]+	226.081398	147.7
[M-H]-	202.084904	140.2
[M+NH4]+	221.126003	159.6
[M+K]+	242.055338	144.5
[M+H-H2O]+	186.089440	132.4
[M+HCOO]-	248.090381	161.4
[M+CH3COO]-	262.106031	187.2
[M+Na-2H]-	224.066846	147.6
[M]+	203.09163142	136.3
[M]-	203.09272858	136.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe