CID 118009450

1174132-81-0

Structural Information

Molecular Formula

C₃H₂BrClN₂S

SMILES

C1(=C(SC(=N1)N)Cl)Br

InChI

InChI=1S/C3H2BrClN2S/c4-1-2(5)8-3(6)7-1/h(H2,6,7)

InChIKey

OFOWVTSYRZXYDW-UHFFFAOYSA-N

Compound name

4-bromo-5-chloro-1,3-thiazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 211.88106 Da
Monoisotopic Mass: 2.6
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]+	212.88834	124.1
[M+Na]+	234.87028	139.8
[M-H]-	210.87378	130.1
[M+NH4]+	229.91488	148.5
[M+K]+	250.84422	126.8
[M+H-H2O]+	194.87832	125.3
[M+HCOO]-	256.87926	138.6
[M+CH3COO]-	270.89491	180.8
[M+Na-2H]-	232.85573	129.1
[M]+	211.88051	144.4
[M]-	211.88161	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe