CID 16791330

1-[2-(difluoromethoxy)phenyl]propan-1-amine

Structural Information

Molecular Formula

C₁₀H₁₃F₂NO

SMILES

CCC(C1=CC=CC=C1OC(F)F)N

InChI

InChI=1S/C10H13F2NO/c1-2-8(13)7-5-3-4-6-9(7)14-10(11)12/h3-6,8,10H,2,13H2,1H3

InChIKey

NORQOYHWPYKECS-UHFFFAOYSA-N

Compound name

1-[2-(difluoromethoxy)phenyl]propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.09653 Da
Monoisotopic Mass: 2.6
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]+	202.10381	143.8
[M+Na]+	224.08575	153.0
[M+NH4]+	219.13035	150.5
[M+K]+	240.05969	147.8
[M-H]-	200.08925	143.1
[M+Na-2H]-	222.07120	148.4
[M]+	201.09598	144.6
[M]-	201.09708	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe