CID 22029197

315228-79-6

Structural Information

Molecular Formula
C8H4N2S2
SMILES
C1=CC2=C(C=C1C#N)SC(=S)N2
InChI
InChI=1S/C8H4N2S2/c9-4-5-1-2-6-7(3-5)12-8(11)10-6/h1-3H,(H,10,11)
InChIKey
XRIDVJQTZRUCDJ-UHFFFAOYSA-N
Compound name
2-sulfanylidene-3H-1,3-benzothiazole-6-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

78
Patents

191.9816 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.988876 146.3
[M+Na]+ 214.970818 161.5
[M-H]- 190.974324 149.8
[M+NH4]+ 210.015423 166.4
[M+K]+ 230.944758 154.9
[M+H-H2O]+ 174.978860 135.4
[M+HCOO]- 236.979801 156.9
[M+CH3COO]- 250.995451 158.7
[M+Na-2H]- 212.956266 148.5
[M]+ 191.98105142 144.1
[M]- 191.98214858 144.1
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