CID 129978896

1824314-86-4

Structural Information

Molecular Formula

C₅H₃Br₂NOS

SMILES

C1=C(N=C(S1)Br)C(=O)CBr

InChI

InChI=1S/C5H3Br2NOS/c6-1-4(9)3-2-10-5(7)8-3/h2H,1H2

InChIKey

UGVTWPDZKCIDST-UHFFFAOYSA-N

Compound name

2-bromo-1-(2-bromo-1,3-thiazol-4-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 282.8302 Da
Monoisotopic Mass: 2.8
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]+	283.83748	124.9
[M+Na]+	305.81942	138.4
[M-H]-	281.82292	131.9
[M+NH4]+	300.86402	146.1
[M+K]+	321.79336	123.2
[M+H-H2O]+	265.82746	133.9
[M+HCOO]-	327.82840	138.4
[M+CH3COO]-	341.84405	198.2
[M+Na-2H]-	303.80487	130.8
[M]+	282.82965	161.1
[M]-	282.83075	161.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.