CID 16228339

4-methyl-3-(morpholine-4-sulfonyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₅S₂

SMILES

CC1=C(C=C(C=C1)S(=O)(=O)Cl)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C11H14ClNO5S2/c1-9-2-3-10(19(12,14)15)8-11(9)20(16,17)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3

InChIKey

TYFCEWCLVSHJOH-UHFFFAOYSA-N

Compound name

4-methyl-3-morpholin-4-ylsulfonylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 339.00018 Da
Monoisotopic Mass: 1.1
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]+	340.007456	169.3
[M+Na]+	361.989398	177.3
[M-H]-	337.992904	175.1
[M+NH4]+	357.034003	181.4
[M+K]+	377.963338	173.4
[M+H-H2O]+	321.997440	163.7
[M+HCOO]-	383.998381	172.3
[M+CH3COO]-	398.014031	199.4
[M+Na-2H]-	359.974846	172.9
[M]+	338.99963142	172.9
[M]-	339.00072858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.