CID 2735528

29171-72-0

Structural Information

Molecular Formula

C₁₃H₁₈ClNO₃S

SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)Cl

InChI

InChI=1S/C13H18ClNO3S/c1-3-9-15(10-4-2)19(17,18)12-7-5-11(6-8-12)13(14)16/h5-8H,3-4,9-10H2,1-2H3

InChIKey

LCQXGFTXKWEWQC-UHFFFAOYSA-N

Compound name

4-(dipropylsulfamoyl)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 83
Patents: 303.06958 Da
Monoisotopic Mass: 4.2
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]+	304.07686	165.8
[M+Na]+	326.05880	173.0
[M-H]-	302.06230	170.9
[M+NH4]+	321.10340	182.6
[M+K]+	342.03274	169.2
[M+H-H2O]+	286.06684	160.1
[M+HCOO]-	348.06778	179.4
[M+CH3COO]-	362.08343	205.0
[M+Na-2H]-	324.04425	167.3
[M]+	303.06903	173.3
[M]-	303.07013	173.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe