CID 2544654

1-(4-fluorobenzyl)guanidine

Structural Information

Molecular Formula

C₈H₁₀FN₃

SMILES

C1=CC(=CC=C1CN=C(N)N)F

InChI

InChI=1S/C8H10FN3/c9-7-3-1-6(2-4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

InChIKey

DDTYPUJUKWPXSK-UHFFFAOYSA-N

Compound name

2-[(4-fluorophenyl)methyl]guanidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 27
Patents: 167.08588 Da
Monoisotopic Mass: 0.4
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]+	168.09316	133.2
[M+Na]+	190.07510	140.0
[M-H]-	166.07860	136.2
[M+NH4]+	185.11970	153.0
[M+K]+	206.04904	137.9
[M+H-H2O]+	150.08314	125.7
[M+HCOO]-	212.08408	159.5
[M+CH3COO]-	226.09973	187.5
[M+Na-2H]-	188.06055	138.6
[M]+	167.08533	128.2
[M]-	167.08643	128.2

Literature stripe

literature stripe

Patent stripe

patents stripe