CID 618536

39893-80-6

Structural Information

Molecular Formula

C₉H₆Cl₂N₂S

SMILES

C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)Cl

InChI

InChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)

InChIKey

UWAXMUSNRIUHRQ-UHFFFAOYSA-N

Compound name

4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 186
Patents: 243.96288 Da
Monoisotopic Mass: 3.5
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]+	244.97016	149.3
[M+Na]+	266.95210	164.2
[M+NH4]+	261.99670	159.4
[M+K]+	282.92604	155.6
[M-H]-	242.95560	153.9
[M+Na-2H]-	264.93755	157.3
[M]+	243.96233	153.8
[M]-	243.96343	153.8

Literature stripe

literature stripe

Patent stripe

patents stripe