CID 4794462

3077-65-4

Structural Information

Molecular Formula

C₁₀H₁₃NO₄S

SMILES

C1COCCN1S(=O)(=O)C2=CC=C(C=C2)O

InChI

InChI=1S/C10H13NO4S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,12H,5-8H2

InChIKey

LYIHIMLRHVZNJK-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylsulfonylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 33
Patents: 243.05653 Da
Monoisotopic Mass: 0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.06381	150.0
[M+Na]+	266.04575	161.2
[M+NH4]+	261.09035	157.1
[M+K]+	282.01969	155.2
[M-H]-	242.04925	152.7
[M+Na-2H]-	264.03120	155.5
[M]+	243.05598	152.7
[M]-	243.05708	152.7

Literature stripe

literature stripe

Patent stripe

patents stripe