CID 130119540

2413875-81-5

Structural Information

Molecular Formula
C11H15NO2S
SMILES
C1CS(=O)(=O)CCNC1C2=CC=CC=C2
InChI
InChI=1S/C11H15NO2S/c13-15(14)8-6-11(12-7-9-15)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKey
CUAIBXUDTZGVTD-UHFFFAOYSA-N
Compound name
5-phenyl-1,4-thiazepane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.08235 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08963 146.7
[M+Na]+ 248.07157 156.6
[M+NH4]+ 243.11617 155.5
[M+K]+ 264.04551 148.4
[M-H]- 224.07507 149.1
[M+Na-2H]- 246.05702 154.4
[M]+ 225.08180 149.3
[M]- 225.08290 149.3
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

No patent data available for this compound.