CID 485421

90390-12-8

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CCNCC1=CC=C(C=C1)C(F)(F)F

InChI

InChI=1S/C10H12F3N/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3

InChIKey

HVEKJUAYPMGFDD-UHFFFAOYSA-N

Compound name

N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 59
Patents: 203.09218 Da
Monoisotopic Mass: 2.5
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	140.7
[M+Na]+	226.08140	148.5
[M-H]-	202.08490	140.5
[M+NH4]+	221.12600	159.8
[M+K]+	242.05534	145.3
[M+H-H2O]+	186.08944	132.5
[M+HCOO]-	248.09038	161.2
[M+CH3COO]-	262.10603	188.3
[M+Na-2H]-	224.06685	146.8
[M]+	203.09163	136.5
[M]-	203.09273	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe