CID 2775269

81864-47-3

Structural Information

Molecular Formula
C9H8N2O2S
SMILES
C1COC2=C(O1)C=C3C(=C2)NC(=S)N3
InChI
InChI=1S/C9H8N2O2S/c14-9-10-5-3-7-8(4-6(5)11-9)13-2-1-12-7/h3-4H,1-2H2,(H2,10,11,14)
InChIKey
PMTXBVARJFBMAC-UHFFFAOYSA-N
Compound name
1,3,6,7-tetrahydro-[1,4]dioxino[2,3-f]benzimidazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

51
Patents

208.03065 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.037926 137.5
[M+Na]+ 231.019868 149.0
[M-H]- 207.023374 139.8
[M+NH4]+ 226.064473 154.8
[M+K]+ 246.993808 145.7
[M+H-H2O]+ 191.027910 132.5
[M+HCOO]- 253.028851 149.8
[M+CH3COO]- 267.044501 150.5
[M+Na-2H]- 229.005316 144.2
[M]+ 208.03010142 138.6
[M]- 208.03119858 138.6
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