CID 12798265

Morpholine-4-sulfonyl chloride

Structural Information

Molecular Formula

C₄H₈ClNO₃S

SMILES

C1COCCN1S(=O)(=O)Cl

InChI

InChI=1S/C4H8ClNO3S/c5-10(7,8)6-1-3-9-4-2-6/h1-4H2

InChIKey

KXIBCCFSAMRWIC-UHFFFAOYSA-N

Compound name

morpholine-4-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 960
Patents: 184.99135 Da
Monoisotopic Mass: -0.1
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]+	185.99863	131.6
[M+Na]+	207.98057	139.5
[M-H]-	183.98407	134.5
[M+NH4]+	203.02517	149.9
[M+K]+	223.95451	138.4
[M+H-H2O]+	167.98861	127.0
[M+HCOO]-	229.98955	141.1
[M+CH3COO]-	244.00520	172.5
[M+Na-2H]-	205.96602	137.3
[M]+	184.99080	132.7
[M]-	184.99190	132.7

Literature stripe

literature stripe

Patent stripe

patents stripe