CID 12222838

2,3-dihydro-1,4-benzoxathiine

Structural Information

Molecular Formula
C8H8OS
SMILES
C1CSC2=CC=CC=C2O1
InChI
InChI=1S/C8H8OS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-4H,5-6H2
InChIKey
NHSOOAWURRKYMM-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzoxathiine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1491
Patents

152.02959 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.03687 124.5
[M+Na]+ 175.01881 132.3
[M-H]- 151.02231 129.7
[M+NH4]+ 170.06341 146.0
[M+K]+ 190.99275 131.2
[M+H-H2O]+ 135.02685 119.4
[M+HCOO]- 197.02779 141.0
[M+CH3COO]- 211.04344 138.7
[M+Na-2H]- 173.00426 132.5
[M]+ 152.02904 124.4
[M]- 152.03014 124.4
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