CID 21394756

5-acetyl-2,4-dichlorobenzene-1-sulfonamide

Structural Information

Molecular Formula

C₈H₇Cl₂NO₃S

SMILES

CC(=O)C1=CC(=C(C=C1Cl)Cl)S(=O)(=O)N

InChI

InChI=1S/C8H7Cl2NO3S/c1-4(12)5-2-8(15(11,13)14)7(10)3-6(5)9/h2-3H,1H3,(H2,11,13,14)

InChIKey

SACDLDIMGQGNIK-UHFFFAOYSA-N

Compound name

5-acetyl-2,4-dichlorobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 266.95236 Da
Monoisotopic Mass: 1.4
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	148.6
[M+Na]+	289.941578	159.6
[M-H]-	265.945084	152.8
[M+NH4]+	284.986183	166.9
[M+K]+	305.915518	154.1
[M+H-H2O]+	249.949620	145.7
[M+HCOO]-	311.950561	157.6
[M+CH3COO]-	325.966211	193.1
[M+Na-2H]-	287.927026	150.2
[M]+	266.95181142	153.6
[M]-	266.95290858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe