CID 626361

4,7-dibromo-2,1,3-benzothiadiazole

Structural Information

Molecular Formula
C6H2Br2N2S
SMILES
C1=C(C2=NSN=C2C(=C1)Br)Br
InChI
InChI=1S/C6H2Br2N2S/c7-3-1-2-4(8)6-5(3)9-11-10-6/h1-2H
InChIKey
FEOWHLLJXAECMU-UHFFFAOYSA-N
Compound name
4,7-dibromo-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1861
Patents

291.83054 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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