CID 716980

65705-44-4

Structural Information

Molecular Formula

C₁₀H₉BrN₂S

SMILES

CC1=C(N=C(S1)N)C2=CC=C(C=C2)Br

InChI

InChI=1S/C10H9BrN2S/c1-6-9(13-10(12)14-6)7-2-4-8(11)5-3-7/h2-5H,1H3,(H2,12,13)

InChIKey

ULSZADQFOHESKR-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 267.96698 Da
Monoisotopic Mass: 3.4
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]+	268.97426	143.1
[M+Na]+	290.95620	147.0
[M+NH4]+	286.00080	149.0
[M+K]+	306.93014	146.4
[M-H]-	266.95970	146.0
[M+Na-2H]-	288.94165	148.0
[M]+	267.96643	143.8
[M]-	267.96753	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe