CID 314313

2,1,3-benzothiadiazol-5-amine

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CC2=NSN=C2C=C1N
InChI
InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)9-10-8-5/h1-3H,7H2
InChIKey
JRJPKRSKPOCUEV-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

398
Patents

151.02042 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.02770 124.9
[M+Na]+ 174.00964 138.3
[M+NH4]+ 169.05424 134.7
[M+K]+ 189.98358 131.7
[M-H]- 150.01314 127.5
[M+Na-2H]- 171.99509 132.2
[M]+ 151.01987 128.0
[M]- 151.02097 128.0
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