CID 2758670

36627-43-7

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₃S

SMILES

CN(C)C(=O)NC1=CC=C(C=C1)S(=O)(=O)Cl

InChI

InChI=1S/C9H11ClN2O3S/c1-12(2)9(13)11-7-3-5-8(6-4-7)16(10,14)15/h3-6H,1-2H3,(H,11,13)

InChIKey

DKOVCBHYOXFPRM-UHFFFAOYSA-N

Compound name

4-(dimethylcarbamoylamino)benzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 262.01788 Da
Monoisotopic Mass: 1.5
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]+	263.025156	152.9
[M+Na]+	285.007098	161.0
[M-H]-	261.010604	158.6
[M+NH4]+	280.051703	171.1
[M+K]+	300.981038	158.1
[M+H-H2O]+	245.015140	147.6
[M+HCOO]-	307.016081	168.7
[M+CH3COO]-	321.031731	196.7
[M+Na-2H]-	282.992546	156.7
[M]+	262.01733142	157.9
[M]-	262.01842858	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe