CID 214242

4-fluorophenyl 2-morpholinoethyl sulfone hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₆FNO₃S

SMILES

C1COCCN1CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C12H16FNO3S/c13-11-1-3-12(4-2-11)18(15,16)10-7-14-5-8-17-9-6-14/h1-4H,5-10H2

InChIKey

APGADONFSDPIKA-UHFFFAOYSA-N

Compound name

4-[2-(4-fluorophenyl)sulfonylethyl]morpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 273.0835 Da
Monoisotopic Mass: 0.9
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]+	274.09078	157.8
[M+Na]+	296.07272	164.2
[M-H]-	272.07622	161.8
[M+NH4]+	291.11732	171.5
[M+K]+	312.04666	161.8
[M+H-H2O]+	256.08076	149.4
[M+HCOO]-	318.08170	169.9
[M+CH3COO]-	332.09735	192.3
[M+Na-2H]-	294.05817	161.3
[M]+	273.08295	156.9
[M]-	273.08405	156.9

Literature stripe

literature stripe

Patent stripe

patents stripe