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]+ 219.94975 138.0
[M+Na]+ 241.93169 152.3
[M-H]- 217.93519 140.5
[M+NH4]+ 236.97629 158.8
[M+K]+ 257.90563 146.2
[M+H-H2O]+ 201.93973 133.4
[M+HCOO]- 263.94067 148.3
[M+CH3COO]- 277.95632 152.0
[M+Na-2H]- 239.91714 141.9
[M]+ 218.94192 143.2
[M]- 218.94302 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.