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

86
Patents

191.9816 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98888 146.3
[M+Na]+ 214.97082 161.5
[M-H]- 190.97432 149.8
[M+NH4]+ 210.01542 166.4
[M+K]+ 230.94476 154.9
[M+H-H2O]+ 174.97886 135.4
[M+HCOO]- 236.97980 156.9
[M+CH3COO]- 250.99545 158.7
[M+Na-2H]- 212.95627 148.5
[M]+ 191.98105 144.1
[M]- 191.98215 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