CID 16790112

954263-76-4

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO₂

SMILES

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

InChI

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

InChIKey

BEAWGBQBYFZGAN-UHFFFAOYSA-N

Compound name

1-[4-(difluoromethoxy)-3-methoxyphenyl]ethanamine

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]+	218.09871	145.0
[M+Na]+	240.08065	152.5
[M-H]-	216.08415	145.8
[M+NH4]+	235.12525	163.2
[M+K]+	256.05459	151.1
[M+H-H2O]+	200.08869	137.1
[M+HCOO]-	262.08963	166.0
[M+CH3COO]-	276.10528	192.1
[M+Na-2H]-	238.06610	146.7
[M]+	217.09088	143.6
[M]-	217.09198	143.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe