CID 16427153

4-chloromethyl-2,5-dibromothiazole

Structural Information

Molecular Formula

C₄H₂Br₂ClNS

SMILES

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

InChI

InChI=1S/C4H2Br2ClNS/c5-3-2(1-7)8-4(6)9-3/h1H2

InChIKey

RMNOQKGRQSKMQO-UHFFFAOYSA-N

Compound name

2,5-dibromo-4-(chloromethyl)-1,3-thiazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 288.79633 Da
Monoisotopic Mass: 3.4
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]+	289.80361	123.4
[M+Na]+	311.78555	139.2
[M-H]-	287.78905	130.8
[M+NH4]+	306.83015	145.6
[M+K]+	327.75949	122.2
[M+H-H2O]+	271.79359	133.3
[M+HCOO]-	333.79453	134.0
[M+CH3COO]-	347.81018	198.2
[M+Na-2H]-	309.77100	129.8
[M]+	288.79578	160.6
[M]-	288.79688	160.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.