CID 755377

383-23-3

Structural Information

Molecular Formula

C₁₀H₁₂FNO₃S

SMILES

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

InChI

InChI=1S/C10H12FNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2

InChIKey

LDBBCISSYGDVIH-UHFFFAOYSA-N

Compound name

4-(4-fluorophenyl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 50
Patents: 245.05219 Da
Monoisotopic Mass: 0.8
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]+	246.05947	148.8
[M+Na]+	268.04141	156.2
[M-H]-	244.04491	153.3
[M+NH4]+	263.08601	163.7
[M+K]+	284.01535	154.2
[M+H-H2O]+	228.04945	140.9
[M+HCOO]-	290.05039	161.6
[M+CH3COO]-	304.06604	186.3
[M+Na-2H]-	266.02686	153.4
[M]+	245.05164	147.3
[M]-	245.05274	147.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe