CID 67300

137-47-3

Structural Information

Molecular Formula

C₈H₉ClN₂O₄S

SMILES

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

InChI

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

InChIKey

HBTAOSGHCXUEKI-UHFFFAOYSA-N

Compound name

4-chloro-N,N-dimethyl-3-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 33778
Patents: 263.99716 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]+	265.00444	150.1
[M+Na]+	286.98638	162.1
[M+NH4]+	282.03098	157.4
[M+K]+	302.96032	158.4
[M-H]-	262.98988	152.4
[M+Na-2H]-	284.97183	155.5
[M]+	263.99661	153.0
[M]-	263.99771	153.0

Literature stripe

literature stripe

Patent stripe

patents stripe