CID 253128

834-67-3

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃S

SMILES

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

InChI

InChI=1S/C10H12BrNO3S/c11-9-1-3-10(4-2-9)16(13,14)12-5-7-15-8-6-12/h1-4H,5-8H2

InChIKey

JWJRLABLXQZFAR-UHFFFAOYSA-N

Compound name

4-(4-bromophenyl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 257
Patents: 304.97214 Da
Monoisotopic Mass: 1.4
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]+	305.97942	144.4
[M+Na]+	327.96136	147.3
[M+NH4]+	323.00596	148.8
[M+K]+	343.93530	147.2
[M-H]-	303.96486	146.4
[M+Na-2H]-	325.94681	148.4
[M]+	304.97159	144.6
[M]-	304.97269	144.6

Literature stripe

literature stripe

Patent stripe

patents stripe