CID 121502

1626-74-0

Structural Information

Molecular Formula

C₁₀H₁₂F₃N

SMILES

CC(CC1=CC=C(C=C1)C(F)(F)F)N

InChI

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

InChIKey

SUUROQOAYQTBFV-UHFFFAOYSA-N

Compound name

1-[4-(trifluoromethyl)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 93
Patents: 203.09218 Da
Monoisotopic Mass: 2.6
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	141.4
[M+Na]+	226.08140	148.9
[M-H]-	202.08490	140.7
[M+NH4]+	221.12600	160.1
[M+K]+	242.05534	145.9
[M+H-H2O]+	186.08944	133.3
[M+HCOO]-	248.09038	160.2
[M+CH3COO]-	262.10603	188.5
[M+Na-2H]-	224.06685	145.1
[M]+	203.09163	135.4
[M]-	203.09273	135.4

Literature stripe

literature stripe

Patent stripe

patents stripe