CID 11622783

3-(2-methoxyethoxy)-5-(trifluoromethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₂F₃NO₂

SMILES

COCCOC1=CC(=CC(=C1)N)C(F)(F)F

InChI

InChI=1S/C10H12F3NO2/c1-15-2-3-16-9-5-7(10(11,12)13)4-8(14)6-9/h4-6H,2-3,14H2,1H3

InChIKey

SHBJHWPHTVJNQG-UHFFFAOYSA-N

Compound name

3-(2-methoxyethoxy)-5-(trifluoromethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 235.08202 Da
Monoisotopic Mass: 1.9
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]+	236.089296	147.5
[M+Na]+	258.071238	156.0
[M-H]-	234.074744	147.0
[M+NH4]+	253.115843	165.1
[M+K]+	274.045178	153.6
[M+H-H2O]+	218.079280	139.0
[M+HCOO]-	280.080221	167.7
[M+CH3COO]-	294.095871	192.8
[M+Na-2H]-	256.056686	151.8
[M]+	235.08147142	145.4
[M]-	235.08256858	145.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe