CID 4736794

29171-70-8

Structural Information

Molecular Formula

C₉H₁₀ClNO₃S

SMILES

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

InChI

InChI=1S/C9H10ClNO3S/c1-11(2)15(13,14)8-5-3-7(4-6-8)9(10)12/h3-6H,1-2H3

InChIKey

DSQVYIHTCRCCPC-UHFFFAOYSA-N

Compound name

4-(dimethylsulfamoyl)benzoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 23
Patents: 247.00699 Da
Monoisotopic Mass: 1.9
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]+	248.01427	150.9
[M+Na]+	269.99621	162.2
[M+NH4]+	265.04081	158.4
[M+K]+	285.97015	155.6
[M-H]-	245.99971	151.9
[M+Na-2H]-	267.98166	156.4
[M]+	247.00644	153.4
[M]-	247.00754	153.4

Literature stripe

literature stripe

Patent stripe

patents stripe