CID 2416644

732292-18-1

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO₂

SMILES

CNCC1=CC(=C(C=C1)OC(F)F)OC

InChI

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

InChIKey

QVPRKRPFUOCRID-UHFFFAOYSA-N

Compound name

1-[4-(difluoromethoxy)-3-methoxyphenyl]-N-methylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 217.09143 Da
Monoisotopic Mass: 1.8
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	144.1
[M+Na]+	240.08065	151.8
[M-H]-	216.08415	145.3
[M+NH4]+	235.12525	162.6
[M+K]+	256.05459	150.2
[M+H-H2O]+	200.08869	136.0
[M+HCOO]-	262.08963	166.6
[M+CH3COO]-	276.10528	191.8
[M+Na-2H]-	238.06610	148.1
[M]+	217.09088	144.3
[M]-	217.09198	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe