CID 2776295

5-bromo-2,1,3-benzothiadiazole

Structural Information

Molecular Formula
C6H3BrN2S
SMILES
C1=CC2=NSN=C2C=C1Br
InChI
InChI=1S/C6H3BrN2S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H
InChIKey
LLCRUZDFDGTAAN-UHFFFAOYSA-N
Compound name
5-bromo-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

152
Patents

213.92003 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.92731 125.8
[M+Na]+ 236.90925 131.0
[M+NH4]+ 231.95385 132.3
[M+K]+ 252.88319 130.3
[M-H]- 212.91275 126.7
[M+Na-2H]- 234.89470 130.7
[M]+ 213.91948 126.1
[M]- 213.92058 126.1
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

patents stripe