CID 559416

10252-82-1

Structural Information

Molecular Formula
C11H13NO5S
SMILES
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C11H13NO5S/c13-11(14)9-1-3-10(4-2-9)18(15,16)12-5-7-17-8-6-12/h1-4H,5-8H2,(H,13,14)
InChIKey
IGXVSENNUSQCOL-UHFFFAOYSA-N
Compound name
4-morpholin-4-ylsulfonylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

96
Patents

271.05145 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05873 156.0
[M+Na]+ 294.04067 166.1
[M+NH4]+ 289.08527 161.9
[M+K]+ 310.01461 161.2
[M-H]- 270.04417 157.6
[M+Na-2H]- 292.02612 160.4
[M]+ 271.05090 158.1
[M]- 271.05200 158.1
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