CID 58129789

4,7-dibromo-[1,2,5]thiadiazolo[3,4-c]pyridine

Structural Information

Molecular Formula
C5HBr2N3S
SMILES
C1=C(C2=NSN=C2C(=N1)Br)Br
InChI
InChI=1S/C5HBr2N3S/c6-2-1-8-5(7)4-3(2)9-11-10-4/h1H
InChIKey
LEHZIBSAFRVAJP-UHFFFAOYSA-N
Compound name
4,7-dibromo-[1,2,5]thiadiazolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

117
Patents

292.82578 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.83306 134.5
[M+Na]+ 315.81500 130.8
[M+NH4]+ 310.85960 137.0
[M+K]+ 331.78894 137.4
[M-H]- 291.81850 134.8
[M+Na-2H]- 313.80045 136.9
[M]+ 292.82523 133.2
[M]- 292.82633 133.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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