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

1357
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 125.8
[M+Na]+ 175.01881 139.6
[M+NH4]+ 170.06341 137.2
[M+K]+ 190.99275 130.5
[M-H]- 151.02231 131.2
[M+Na-2H]- 173.00426 133.1
[M]+ 152.02904 130.0
[M]- 152.03014 130.0
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