CID 43138649

1-[4-ethoxy-2-(trifluoromethyl)phenyl]methanamine hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO

SMILES

CCOC1=CC(=C(C=C1)CN)C(F)(F)F

InChI

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

InChIKey

JELCXMPCKINYAX-UHFFFAOYSA-N

Compound name

[4-ethoxy-2-(trifluoromethyl)phenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 219.0871 Da
Monoisotopic Mass: 2.0
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	153.0
[M-H]-	218.079824	144.0
[M+NH4]+	237.120923	162.8
[M+K]+	258.050258	150.0
[M+H-H2O]+	202.084360	136.2
[M+HCOO]-	264.085301	164.4
[M+CH3COO]-	278.100951	190.8
[M+Na-2H]-	240.061766	148.6
[M]+	219.08655142	140.9
[M]-	219.08764858	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.