CID 3387135

876715-72-9

Structural Information

Molecular Formula

C₁₀H₉FN₂S

SMILES

C1=CC=C(C(=C1)CC2=CN=C(S2)N)F

InChI

InChI=1S/C10H9FN2S/c11-9-4-2-1-3-7(9)5-8-6-13-10(12)14-8/h1-4,6H,5H2,(H2,12,13)

InChIKey

MJWGGQHOCHEUHY-UHFFFAOYSA-N

Compound name

5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 208.04704 Da
Monoisotopic Mass: 2.7
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]+	209.05432	141.9
[M+Na]+	231.03626	154.0
[M+NH4]+	226.08086	150.8
[M+K]+	247.01020	146.8
[M-H]-	207.03976	145.1
[M+Na-2H]-	229.02171	149.4
[M]+	208.04649	144.9
[M]-	208.04759	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe