CID 71057259

1797943-59-9

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO

SMILES

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

InChI

InChI=1S/C10H12F3NO/c1-9(2,14)7-3-5-8(6-4-7)15-10(11,12)13/h3-6H,14H2,1-2H3

InChIKey

KMGHOGHYGJRAKS-UHFFFAOYSA-N

Compound name

2-[4-(trifluoromethoxy)phenyl]propan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 219.0871 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]+	220.094376	144.4
[M+Na]+	242.076318	152.5
[M-H]-	218.079824	143.9
[M+NH4]+	237.120923	162.6
[M+K]+	258.050258	150.0
[M+H-H2O]+	202.084360	136.6
[M+HCOO]-	264.085301	162.8
[M+CH3COO]-	278.100951	190.1
[M+Na-2H]-	240.061766	150.2
[M]+	219.08655142	139.9
[M]-	219.08764858	139.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe