CID 61557666

1020670-43-2

Structural Information

Molecular Formula

C₁₀H₁₀FN₃

SMILES

C1=CC(=CC(=C1)F)NCC2=NC=CN2

InChI

InChI=1S/C10H10FN3/c11-8-2-1-3-9(6-8)14-7-10-12-4-5-13-10/h1-6,14H,7H2,(H,12,13)

InChIKey

BUNYIPDYQNIIMV-UHFFFAOYSA-N

Compound name

3-fluoro-N-(1H-imidazol-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 11
Patents: 191.08588 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]+	192.09316	137.5
[M+Na]+	214.07510	145.6
[M-H]-	190.07860	139.2
[M+NH4]+	209.11970	155.1
[M+K]+	230.04904	141.1
[M+H-H2O]+	174.08314	128.5
[M+HCOO]-	236.08408	160.0
[M+CH3COO]-	250.09973	149.9
[M+Na-2H]-	212.06055	144.0
[M]+	191.08533	133.8
[M]-	191.08643	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe