CID 40480573

886494-98-0

Structural Information

Molecular Formula

C₉H₆Cl₂N₂S

SMILES

C1=CC(=C(C(=C1)Cl)Cl)C2=CSC(=N2)N

InChI

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

InChIKey

IJUBCDMIOYZQOA-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
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	148.2
[M+Na]+	266.95210	160.2
[M-H]-	242.95560	153.7
[M+NH4]+	261.99670	168.0
[M+K]+	282.92604	153.4
[M+H-H2O]+	226.96014	143.1
[M+HCOO]-	288.96108	159.1
[M+CH3COO]-	302.97673	161.4
[M+Na-2H]-	264.93755	149.0
[M]+	243.96233	151.4
[M]-	243.96343	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe