CID 14977545

N-(2-aminoethyl)-2-fluorobenzamide hydrochloride

Structural Information

Molecular Formula

C₉H₁₁FN₂O

SMILES

C1=CC=C(C(=C1)C(=O)NCCN)F

InChI

InChI=1S/C9H11FN2O/c10-8-4-2-1-3-7(8)9(13)12-6-5-11/h1-4H,5-6,11H2,(H,12,13)

InChIKey

DLBGTHACSSJFCX-UHFFFAOYSA-N

Compound name

N-(2-aminoethyl)-2-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 182.08554 Da
Monoisotopic Mass: 0.1
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]+	183.09282	137.7
[M+Na]+	205.07476	147.4
[M+NH4]+	200.11936	144.9
[M+K]+	221.04870	141.9
[M-H]-	181.07826	138.9
[M+Na-2H]-	203.06021	143.4
[M]+	182.08499	139.0
[M]-	182.08609	139.0

Literature stripe

literature stripe

Patent stripe

patents stripe