CID 58129789

333432-27-2

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

110
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 116.2
[M+Na]+ 315.81500 132.5
[M-H]- 291.81850 122.7
[M+NH4]+ 310.85960 136.6
[M+K]+ 331.78894 117.5
[M+H-H2O]+ 275.82304 126.2
[M+HCOO]- 337.82398 130.0
[M+CH3COO]- 351.83963 133.1
[M+Na-2H]- 313.80045 126.3
[M]+ 292.82523 154.3
[M]- 292.82633 154.3
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

No patent data available for this compound.