CID 18072812

4-[(2-methylpropyl)sulfamoyl]benzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₄S₂

SMILES

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

InChI

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

InChIKey

FNMXYDGPQHCAGI-UHFFFAOYSA-N

Compound name

4-(2-methylpropylsulfamoyl)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 311.00528 Da
Monoisotopic Mass: 2.2
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	163.9
[M+Na]+	333.994498	171.7
[M-H]-	309.998004	167.6
[M+NH4]+	329.039103	179.5
[M+K]+	349.968438	166.1
[M+H-H2O]+	294.002540	159.0
[M+HCOO]-	356.003481	171.0
[M+CH3COO]-	370.019131	199.0
[M+Na-2H]-	331.979946	167.0
[M]+	311.00473142	169.4
[M]-	311.00582858	169.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.