CID 19425273

153390-61-5

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CC(C)(C1=CC(=CC=C1)C(F)(F)F)N

InChI

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

InChIKey

YEGWNHBRMASMGR-UHFFFAOYSA-N

Compound name

2-[3-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 52
Patents: 203.09218 Da
Monoisotopic Mass: 2.4
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	140.9
[M+Na]+	226.08140	149.1
[M-H]-	202.08490	140.5
[M+NH4]+	221.12600	159.8
[M+K]+	242.05534	146.1
[M+H-H2O]+	186.08944	133.4
[M+HCOO]-	248.09038	159.2
[M+CH3COO]-	262.10603	188.1
[M+Na-2H]-	224.06685	146.7
[M]+	203.09163	135.1
[M]-	203.09273	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe