CID 145867052

5-bromo-4-(bromomethyl)-1,2-thiazole

Structural Information

Molecular Formula

C₄H₃Br₂NS

SMILES

C1=NSC(=C1CBr)Br

InChI

InChI=1S/C4H3Br2NS/c5-1-3-2-7-8-4(3)6/h2H,1H2

InChIKey

DMNISUOZOIUNCT-UHFFFAOYSA-N

Compound name

5-bromo-4-(bromomethyl)-1,2-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 254.8353 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]+	255.842576	118.3
[M+Na]+	277.824518	132.5
[M-H]-	253.828024	125.5
[M+NH4]+	272.869123	140.7
[M+K]+	293.798458	117.4
[M+H-H2O]+	237.832560	127.6
[M+HCOO]-	299.833501	132.7
[M+CH3COO]-	313.849151	194.6
[M+Na-2H]-	275.809966	125.6
[M]+	254.83475142	154.2
[M]-	254.83584858	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.