CID 20105580

10372-90-4

Structural Information

Molecular Formula

C₈H₉ClN₂O₄S

SMILES

CN(C)S(=O)(=O)C1=C(C=CC(=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C8H9ClN2O4S/c1-10(2)16(14,15)8-5-6(11(12)13)3-4-7(8)9/h3-5H,1-2H3

InChIKey

OYTKZYRZJKFNSZ-UHFFFAOYSA-N

Compound name

2-chloro-N,N-dimethyl-5-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 263.99716 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]+	265.00444	149.9
[M+Na]+	286.98638	158.0
[M-H]-	262.98988	155.6
[M+NH4]+	282.03098	167.3
[M+K]+	302.96032	151.3
[M+H-H2O]+	246.99442	149.5
[M+HCOO]-	308.99536	166.5
[M+CH3COO]-	323.01101	190.1
[M+Na-2H]-	284.97183	155.9
[M]+	263.99661	153.8
[M]-	263.99771	153.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe