CID 87241

4-phenylthiomorpholine 1,1-dioxide

Structural Information

Molecular Formula
C10H13NO2S
SMILES
C1CS(=O)(=O)CCN1C2=CC=CC=C2
InChI
InChI=1S/C10H13NO2S/c12-14(13)8-6-11(7-9-14)10-4-2-1-3-5-10/h1-5H,6-9H2
InChIKey
OLQHDKQJHKZUNN-UHFFFAOYSA-N
Compound name
4-phenyl-1,4-thiazinane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

151
Patents

211.0667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.07398 142.6
[M+Na]+ 234.05592 150.4
[M-H]- 210.05942 147.9
[M+NH4]+ 229.10052 162.2
[M+K]+ 250.02986 147.3
[M+H-H2O]+ 194.06396 135.9
[M+HCOO]- 256.06490 158.5
[M+CH3COO]- 270.08055 180.7
[M+Na-2H]- 232.04137 147.3
[M]+ 211.06615 141.0
[M]- 211.06725 141.0
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