CID 14951211

125393-22-8

Structural Information

Molecular Formula

C₁₀H₁₂ClNO₃S

SMILES

C1COCCN1C2=CC=C(C=C2)S(=O)(=O)Cl

InChI

InChI=1S/C10H12ClNO3S/c11-16(13,14)10-3-1-9(2-4-10)12-5-7-15-8-6-12/h1-4H,5-8H2

InChIKey

FPJABYRHGJABIZ-UHFFFAOYSA-N

Compound name

4-morpholin-4-ylbenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 261.02264 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]+	262.029916	152.1
[M+Na]+	284.011858	160.1
[M-H]-	260.015364	158.1
[M+NH4]+	279.056463	167.4
[M+K]+	299.985798	157.1
[M+H-H2O]+	244.019900	145.9
[M+HCOO]-	306.020841	161.4
[M+CH3COO]-	320.036491	187.4
[M+Na-2H]-	281.997306	156.8
[M]+	261.02209142	153.6
[M]-	261.02318858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe