CID 719344

120-53-6

Structural Information

Molecular Formula
C9H9NOS2
SMILES
CCOC1=CC2=C(C=C1)NC(=S)S2
InChI
InChI=1S/C9H9NOS2/c1-2-11-6-3-4-7-8(5-6)13-9(12)10-7/h3-5H,2H2,1H3,(H,10,12)
InChIKey
HOASVNMVYBSLSU-UHFFFAOYSA-N
Compound name
6-ethoxy-3H-1,3-benzothiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

1509
Patents

211.01256 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.01984 141.0
[M+Na]+ 234.00178 154.1
[M+NH4]+ 229.04638 150.8
[M+K]+ 249.97572 144.9
[M-H]- 210.00528 143.3
[M+Na-2H]- 231.98723 146.1
[M]+ 211.01201 144.5
[M]- 211.01311 144.5
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