CID 68902732

886367-82-4

Structural Information

Molecular Formula

C₉H₅Br₂NS

SMILES

C1=CC(=CC(=C1)Br)C2=CSC(=N2)Br

InChI

InChI=1S/C9H5Br2NS/c10-7-3-1-2-6(4-7)8-5-13-9(11)12-8/h1-5H

InChIKey

WXYVKXSAWLILLT-UHFFFAOYSA-N

Compound name

2-bromo-4-(3-bromophenyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 316.85095 Da
Monoisotopic Mass: 4.3
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]+	317.858226	132.4
[M+Na]+	339.840168	146.3
[M-H]-	315.843674	142.0
[M+NH4]+	334.884773	152.9
[M+K]+	355.814108	130.8
[M+H-H2O]+	299.848210	141.8
[M+HCOO]-	361.849151	146.9
[M+CH3COO]-	375.864801	148.4
[M+Na-2H]-	337.825616	138.8
[M]+	316.85040142	168.4
[M]-	316.85149858	168.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe