CID 305495

5,6-dichlorobenzo[c][1,2,5]thiadiazole

Structural Information

Molecular Formula
C6H2Cl2N2S
SMILES
C1=C(C(=CC2=NSN=C21)Cl)Cl
InChI
InChI=1S/C6H2Cl2N2S/c7-3-1-5-6(2-4(3)8)10-11-9-5/h1-2H
InChIKey
FANYVGCAISPJSX-UHFFFAOYSA-N
Compound name
5,6-dichloro-2,1,3-benzothiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

40
Patents

203.93158 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.93886 133.1
[M+Na]+ 226.92080 147.5
[M-H]- 202.92430 135.9
[M+NH4]+ 221.96540 154.9
[M+K]+ 242.89474 142.1
[M+H-H2O]+ 186.92884 128.5
[M+HCOO]- 248.92978 143.1
[M+CH3COO]- 262.94543 147.7
[M+Na-2H]- 224.90625 138.1
[M]+ 203.93103 139.5
[M]- 203.93213 139.5
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