CID 11401345

2182-73-2

Structural Information

Molecular Formula
C8H7NOS2
SMILES
COC1=CC2=C(C=C1)NC(=S)S2
InChI
InChI=1S/C8H7NOS2/c1-10-5-2-3-6-7(4-5)12-8(11)9-6/h2-4H,1H3,(H,9,11)
InChIKey
WBKYNVBTKLKJBG-UHFFFAOYSA-N
Compound name
6-methoxy-3H-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

133
Patents

196.9969 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.00418 136.8
[M+Na]+ 219.98612 150.1
[M+NH4]+ 215.03072 146.7
[M+K]+ 235.96006 141.1
[M-H]- 195.98962 139.1
[M+Na-2H]- 217.97157 142.1
[M]+ 196.99635 140.3
[M]- 196.99745 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe