CID 130023004

1823042-98-3

Structural Information

Molecular Formula

C₁₀H₁₁F₄N

SMILES

CC(C1=C(C=C(C=C1)C(F)(F)F)F)NC

InChI

InChI=1S/C10H11F4N/c1-6(15-2)8-4-3-7(5-9(8)11)10(12,13)14/h3-6,15H,1-2H3

InChIKey

PDEMFFRGJUZSTP-UHFFFAOYSA-N

Compound name

1-[2-fluoro-4-(trifluoromethyl)phenyl]-N-methylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 221.08276 Da
Monoisotopic Mass: 2.7
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]+	222.09004	143.3
[M+Na]+	244.07198	151.8
[M-H]-	220.07548	142.2
[M+NH4]+	239.11658	161.8
[M+K]+	260.04592	148.7
[M+H-H2O]+	204.08002	134.4
[M+HCOO]-	266.08096	161.7
[M+CH3COO]-	280.09661	193.2
[M+Na-2H]-	242.05743	146.8
[M]+	221.08221	137.5
[M]-	221.08331	137.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe