CID 253128

4-[(4-bromobenzene)sulfonyl]morpholine

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: 255
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]+	305.979416	149.1
[M+Na]+	327.961358	159.7
[M-H]-	303.964864	157.5
[M+NH4]+	323.005963	165.8
[M+K]+	343.935298	149.7
[M+H-H2O]+	287.969400	149.0
[M+HCOO]-	349.970341	161.3
[M+CH3COO]-	363.985991	193.4
[M+Na-2H]-	325.946806	156.1
[M]+	304.97159142	167.6
[M]-	304.97268858	167.6

Literature stripe

literature stripe

Patent stripe

patents stripe