CID 22715331

41972-62-7

Structural Information

Molecular Formula
C6H5N3S
SMILES
C1=CC2=C(C=C1N)SN=N2
InChI
InChI=1S/C6H5N3S/c7-4-1-2-5-6(3-4)10-9-8-5/h1-3H,7H2
InChIKey
FHADHGAXUKFKHY-UHFFFAOYSA-N
Compound name
1,2,3-benzothiadiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

151.02042 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.027696 124.0
[M+Na]+ 174.009638 136.2
[M-H]- 150.013144 126.8
[M+NH4]+ 169.054243 146.1
[M+K]+ 189.983578 132.7
[M+H-H2O]+ 134.017680 118.0
[M+HCOO]- 196.018621 144.6
[M+CH3COO]- 210.034271 139.0
[M+Na-2H]- 171.995086 130.9
[M]+ 151.01987142 126.1
[M]- 151.02096858 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe