CID 13499164

2416229-58-6

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CC(C(F)(F)F)NCC1=CC=CC=C1

InChI

InChI=1S/C10H12F3N/c1-8(10(11,12)13)14-7-9-5-3-2-4-6-9/h2-6,8,14H,7H2,1H3

InChIKey

BDFXCYINJQZXHU-UHFFFAOYSA-N

Compound name

N-benzyl-1,1,1-trifluoropropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
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]+	204.09946	146.1
[M+Na]+	226.08140	154.4
[M+NH4]+	221.12600	152.2
[M+K]+	242.05534	148.9
[M-H]-	202.08490	144.0
[M+Na-2H]-	224.06685	150.9
[M]+	203.09163	146.4
[M]-	203.09273	146.4

Literature stripe

literature stripe

Patent stripe

patents stripe