CID 24688489

4-[(propane-1-sulfonamido)methyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₄S₂

SMILES

CCCS(=O)(=O)NCC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H14ClNO4S2/c1-2-7-17(13,14)12-8-9-3-5-10(6-4-9)18(11,15)16/h3-6,12H,2,7-8H2,1H3

InChIKey

UVTWTLUVLMNEKY-UHFFFAOYSA-N

Compound name

4-[(propylsulfonylamino)methyl]benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.00528 Da
Monoisotopic Mass: 1.7
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]+	312.012556	165.0
[M+Na]+	333.994498	173.2
[M-H]-	309.998004	168.6
[M+NH4]+	329.039103	180.7
[M+K]+	349.968438	167.0
[M+H-H2O]+	294.002540	159.9
[M+HCOO]-	356.003481	173.1
[M+CH3COO]-	370.019131	198.2
[M+Na-2H]-	331.979946	168.8
[M]+	311.00473142	171.0
[M]-	311.00582858	171.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.