CID 2758837

2,3-dihydro-1,4-benzodioxine-6-thiol

Structural Information

Molecular Formula
C8H8O2S
SMILES
C1COC2=C(O1)C=CC(=C2)S
InChI
InChI=1S/C8H8O2S/c11-6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,11H,3-4H2
InChIKey
AJTXRGFHGWXIOZ-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-6-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

168.0245 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03178 128.1
[M+Na]+ 191.01372 136.9
[M-H]- 167.01722 134.4
[M+NH4]+ 186.05832 148.0
[M+K]+ 206.98766 137.2
[M+H-H2O]+ 151.02176 123.1
[M+HCOO]- 213.02270 144.0
[M+CH3COO]- 227.03835 142.5
[M+Na-2H]- 188.99917 136.3
[M]+ 168.02395 130.4
[M]- 168.02505 130.4
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