CID 117780080

1643854-33-4

Structural Information

Molecular Formula

C₆H₂Br₂N₂S

SMILES

C1=C(C=NC2=C(SN=C21)Br)Br

InChI

InChI=1S/C6H2Br2N2S/c7-3-1-4-5(9-2-3)6(8)11-10-4/h1-2H

InChIKey

XFINWAKFJGTYGZ-UHFFFAOYSA-N

Compound name

3,6-dibromo-[1,2]thiazolo[4,3-b]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 291.83054 Da
Monoisotopic Mass: 3.1
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]+	292.837816	120.1
[M+Na]+	314.819758	135.9
[M-H]-	290.823264	127.5
[M+NH4]+	309.864363	141.5
[M+K]+	330.793698	120.8
[M+H-H2O]+	274.827800	130.1
[M+HCOO]-	336.828741	134.4
[M+CH3COO]-	350.844391	137.0
[M+Na-2H]-	312.805206	129.5
[M]+	291.82999142	157.9
[M]-	291.83108858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe