CID 117780080

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

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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.83782 120.1
[M+Na]+ 314.81976 135.9
[M-H]- 290.82326 127.5
[M+NH4]+ 309.86436 141.5
[M+K]+ 330.79370 120.8
[M+H-H2O]+ 274.82780 130.1
[M+HCOO]- 336.82874 134.4
[M+CH3COO]- 350.84439 137.0
[M+Na-2H]- 312.80521 129.5
[M]+ 291.82999 157.9
[M]- 291.83109 157.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe