CID 746765

58722-35-3

Structural Information

Molecular Formula
C12H15NO4S
SMILES
CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCOCC2
InChI
InChI=1S/C12H15NO4S/c1-10(14)11-2-4-12(5-3-11)18(15,16)13-6-8-17-9-7-13/h2-5H,6-9H2,1H3
InChIKey
VPKDMMVZORPXFJ-UHFFFAOYSA-N
Compound name
1-(4-morpholin-4-ylsulfonylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

44
Patents

269.07217 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.07945 157.0
[M+Na]+ 292.06139 163.2
[M-H]- 268.06489 162.6
[M+NH4]+ 287.10599 170.7
[M+K]+ 308.03533 161.7
[M+H-H2O]+ 252.06943 149.7
[M+HCOO]- 314.07037 169.5
[M+CH3COO]- 328.08602 191.8
[M+Na-2H]- 290.04684 160.4
[M]+ 269.07162 157.3
[M]- 269.07272 157.3
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