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
4
Annotation Hits

0
References

155
Patents

211.0667 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.073976 142.6
[M+Na]+ 234.055918 150.4
[M-H]- 210.059424 147.9
[M+NH4]+ 229.100523 162.2
[M+K]+ 250.029858 147.3
[M+H-H2O]+ 194.063960 135.9
[M+HCOO]- 256.064901 158.5
[M+CH3COO]- 270.080551 180.7
[M+Na-2H]- 232.041366 147.3
[M]+ 211.06615142 141.0
[M]- 211.06724858 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