CID 55283578

1373866-58-0

Structural Information

Molecular Formula

C₉H₁₁F₂N

SMILES

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

InChI

InChI=1S/C9H11F2N/c1-6(12)7-3-2-4-8(5-7)9(10)11/h2-6,9H,12H2,1H3

InChIKey

FJDSZADRDSXBSE-UHFFFAOYSA-N

Compound name

1-[3-(difluoromethyl)phenyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 171.08595 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]+	172.09323	134.3
[M+Na]+	194.07517	141.4
[M-H]-	170.07867	135.0
[M+NH4]+	189.11977	154.2
[M+K]+	210.04911	139.2
[M+H-H2O]+	154.08321	126.9
[M+HCOO]-	216.08415	155.2
[M+CH3COO]-	230.09980	183.8
[M+Na-2H]-	192.06062	137.4
[M]+	171.08540	129.2
[M]-	171.08650	129.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe