CID 95050

4-(phenylsulfonyl)morpholine

Structural Information

Molecular Formula
C10H13NO3S
SMILES
C1COCCN1S(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C10H13NO3S/c12-15(13,10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5H,6-9H2
InChIKey
LRXKXDGJVHZGBH-UHFFFAOYSA-N
Compound name
4-(benzenesulfonyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

407
Patents

227.06161 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.068886 146.3
[M+Na]+ 250.050828 152.8
[M-H]- 226.054334 151.9
[M+NH4]+ 245.095433 161.7
[M+K]+ 266.024768 151.3
[M+H-H2O]+ 210.058870 139.2
[M+HCOO]- 272.059811 160.2
[M+CH3COO]- 286.075461 182.4
[M+Na-2H]- 248.036276 152.1
[M]+ 227.06106142 145.4
[M]- 227.06215858 145.4
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