CID 3696002

4-[(3-bromophenyl)sulphonyl]morpholine

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₃S

SMILES

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

InChI

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

InChIKey

BMAMBBTZMVECJZ-UHFFFAOYSA-N

Compound name

4-(3-bromophenyl)sulfonylmorpholine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 156
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	149.1
[M+Na]+	327.96136	159.7
[M-H]-	303.96486	157.5
[M+NH4]+	323.00596	165.8
[M+K]+	343.93530	149.7
[M+H-H2O]+	287.96940	149.0
[M+HCOO]-	349.97034	161.3
[M+CH3COO]-	363.98599	193.4
[M+Na-2H]-	325.94681	156.1
[M]+	304.97159	167.6
[M]-	304.97269	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe