CID 3063273

2,1,3-benzothia(s(sup iv))diazole-4-methanethiol

Structural Information

Molecular Formula
C7H6N2S2
SMILES
C1=CC2=NSN=C2C(=C1)CS
InChI
InChI=1S/C7H6N2S2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-3,10H,4H2
InChIKey
LOAWEDNIQUVCNE-UHFFFAOYSA-N
Compound name
2,1,3-benzothiadiazol-4-ylmethanethiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.99724 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.00452 132.3
[M+Na]+ 204.98646 146.3
[M+NH4]+ 200.03106 142.8
[M+K]+ 220.96040 136.9
[M-H]- 180.98996 135.1
[M+Na-2H]- 202.97191 138.7
[M]+ 181.99669 136.2
[M]- 181.99779 136.2
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

No patent data available for this compound.