CID 16774234

[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO₂

SMILES

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

InChI

InChI=1S/C10H13F2NO2/c1-2-14-9-5-7(6-13)3-4-8(9)15-10(11)12/h3-5,10H,2,6,13H2,1H3

InChIKey

GNKNYDRCFXMNBL-UHFFFAOYSA-N

Compound name

[4-(difluoromethoxy)-3-ethoxyphenyl]methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 217.09143 Da
Monoisotopic Mass: 1.7
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]+	218.098706	144.6
[M+Na]+	240.080648	152.3
[M-H]-	216.084154	145.3
[M+NH4]+	235.125253	162.9
[M+K]+	256.054588	150.4
[M+H-H2O]+	200.088690	136.6
[M+HCOO]-	262.089631	166.6
[M+CH3COO]-	276.105281	191.2
[M+Na-2H]-	238.066096	147.6
[M]+	217.09088142	143.8
[M]-	217.09197858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.