CID 305681

5,7-dichloro-2,1,3-benzothiadiazol-4-amine

Structural Information

Molecular Formula
C6H3Cl2N3S
SMILES
C1=C(C2=NSN=C2C(=C1Cl)N)Cl
InChI
InChI=1S/C6H3Cl2N3S/c7-2-1-3(8)5-6(4(2)9)11-12-10-5/h1H,9H2
InChIKey
BHDCZIZWPKHDHA-UHFFFAOYSA-N
Compound name
5,7-dichloro-2,1,3-benzothiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

218.94247 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.949746 138.0
[M+Na]+ 241.931688 152.3
[M-H]- 217.935194 140.5
[M+NH4]+ 236.976293 158.8
[M+K]+ 257.905628 146.2
[M+H-H2O]+ 201.939730 133.4
[M+HCOO]- 263.940671 148.3
[M+CH3COO]- 277.956321 152.0
[M+Na-2H]- 239.917136 141.9
[M]+ 218.94192142 143.2
[M]- 218.94301858 143.2
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

No patent data available for this compound.