CID 50987518

1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-amine

Structural Information

Molecular Formula

C₁₂H₁₃FN₂S

SMILES

CC1=C(SC(=N1)C2=CC=C(C=C2)F)C(C)N

InChI

InChI=1S/C12H13FN2S/c1-7(14)11-8(2)15-12(16-11)9-3-5-10(13)6-4-9/h3-7H,14H2,1-2H3

InChIKey

SRQCMMRUSQIPLF-UHFFFAOYSA-N

Compound name

1-[2-(4-fluorophenyl)-4-methyl-1,3-thiazol-5-yl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 236.07835 Da
Monoisotopic Mass: 2.4
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]+	237.085626	149.7
[M+Na]+	259.067568	159.5
[M-H]-	235.071074	154.5
[M+NH4]+	254.112173	168.7
[M+K]+	275.041508	154.8
[M+H-H2O]+	219.075610	142.1
[M+HCOO]-	281.076551	167.5
[M+CH3COO]-	295.092201	193.4
[M+Na-2H]-	257.053016	148.9
[M]+	236.07780142	149.7
[M]-	236.07889858	149.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.