CID 768453

2,1,3-benzothiadiazole-4,5-diamine

Structural Information

Molecular Formula
C6H6N4S
SMILES
C1=CC2=NSN=C2C(=C1N)N
InChI
InChI=1S/C6H6N4S/c7-3-1-2-4-6(5(3)8)10-11-9-4/h1-2H,7-8H2
InChIKey
KBTZPUWOUVFXHS-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazole-4,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

166.03131 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.03859 128.4
[M+Na]+ 189.02053 140.4
[M+NH4]+ 184.06513 137.4
[M+K]+ 204.99447 134.7
[M-H]- 165.02403 131.0
[M+Na-2H]- 187.00598 134.7
[M]+ 166.03076 131.1
[M]- 166.03186 131.1
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