CID 43138648

4-methoxy-2-(trifluoromethyl)benzylamine

Structural Information

Molecular Formula

C₉H₁₀F₃NO

SMILES

COC1=CC(=C(C=C1)CN)C(F)(F)F

InChI

InChI=1S/C9H10F3NO/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-4H,5,13H2,1H3

InChIKey

GRRJRPNJFJEEPK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 61
Patents: 205.07144 Da
Monoisotopic Mass: 1.6
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]+	206.07872	145.3
[M+Na]+	228.06066	154.0
[M+NH4]+	223.10526	151.0
[M+K]+	244.03460	149.0
[M-H]-	204.06416	142.8
[M+Na-2H]-	226.04611	149.3
[M]+	205.07089	145.5
[M]-	205.07199	145.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe