CID 4211313

4-(diethylsulfamoyl)benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₄S₂

SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C10H14ClNO4S2/c1-3-12(4-2)18(15,16)10-7-5-9(6-8-10)17(11,13)14/h5-8H,3-4H2,1-2H3

InChIKey

RTTMYWGQXRVHBR-UHFFFAOYSA-N

Compound name

4-(diethylsulfamoyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 311.00528 Da
Monoisotopic Mass: 1.8
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	164.2
[M+Na]+	333.994498	172.5
[M-H]-	309.998004	169.3
[M+NH4]+	329.039103	180.5
[M+K]+	349.968438	167.8
[M+H-H2O]+	294.002540	158.9
[M+HCOO]-	356.003481	172.7
[M+CH3COO]-	370.019131	201.4
[M+Na-2H]-	331.979946	167.6
[M]+	311.00473142	171.5
[M]-	311.00582858	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe