CID 101303

6419-73-4

Structural Information

Molecular Formula

C₁₀H₁₄ClNO₂S

SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)Cl

InChI

InChI=1S/C10H14ClNO2S/c1-2-3-8-12-15(13,14)10-6-4-9(11)5-7-10/h4-7,12H,2-3,8H2,1H3

InChIKey

XFMKHPRAQATSFB-UHFFFAOYSA-N

Compound name

N-butyl-4-chlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 35
Patents: 247.04338 Da
Monoisotopic Mass: 2.8
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]+	248.05066	151.2
[M+Na]+	270.03260	159.7
[M-H]-	246.03610	155.1
[M+NH4]+	265.07720	169.8
[M+K]+	286.00654	154.7
[M+H-H2O]+	230.04064	146.2
[M+HCOO]-	292.04158	165.8
[M+CH3COO]-	306.05723	190.6
[M+Na-2H]-	268.01805	155.5
[M]+	247.04283	156.0
[M]-	247.04393	156.0

Literature stripe

literature stripe

Patent stripe

patents stripe