CID 345908

He 761

Structural Information

Molecular Formula

C₁₂H₈Cl₂N₂O₄S

SMILES

C1=CC(=CC=C1NS(=O)(=O)C2=CC(=C(C=C2)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H8Cl2N2O4S/c13-11-6-5-10(7-12(11)14)21(19,20)15-8-1-3-9(4-2-8)16(17)18/h1-7,15H

InChIKey

HAYZJERLLURJEF-UHFFFAOYSA-N

Compound name

3,4-dichloro-N-(4-nitrophenyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 1
Patents: 345.9582 Da
Monoisotopic Mass: 4.1
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]+	346.96548	170.2
[M+Na]+	368.94742	178.1
[M-H]-	344.95092	176.7
[M+NH4]+	363.99202	183.7
[M+K]+	384.92136	168.2
[M+H-H2O]+	328.95546	169.4
[M+HCOO]-	390.95640	181.3
[M+CH3COO]-	404.97205	200.2
[M+Na-2H]-	366.93287	175.9
[M]+	345.95765	173.5
[M]-	345.95875	173.5

Literature stripe

literature stripe

Patent stripe

patents stripe