CID 282749

3-chloro-4-acetamidobenzene-1-sulfonyl chloride

Structural Information

Molecular Formula

C₈H₇Cl₂NO₃S

SMILES

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

InChI

InChI=1S/C8H7Cl2NO3S/c1-5(12)11-8-3-2-6(4-7(8)9)15(10,13)14/h2-4H,1H3,(H,11,12)

InChIKey

ALOQYFFSHSEVJH-UHFFFAOYSA-N

Compound name

4-acetamido-3-chlorobenzenesulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 373
Patents: 266.95236 Da
Monoisotopic Mass: 1.6
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]+	267.959636	149.0
[M+Na]+	289.941578	159.3
[M-H]-	265.945084	153.4
[M+NH4]+	284.986183	167.4
[M+K]+	305.915518	154.1
[M+H-H2O]+	249.949620	145.8
[M+HCOO]-	311.950561	158.7
[M+CH3COO]-	325.966211	191.8
[M+Na-2H]-	287.927026	152.2
[M]+	266.95181142	154.6
[M]-	266.95290858	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe