CID 67301

137-48-4

Structural Information

Molecular Formula

C₇H₇ClN₂O₄S

SMILES

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

InChI

InChI=1S/C7H7ClN2O4S/c1-9-15(13,14)5-2-3-6(8)7(4-5)10(11)12/h2-4,9H,1H3

InChIKey

UMNGEAKUUOJPAX-UHFFFAOYSA-N

Compound name

4-chloro-N-methyl-3-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 67
Patents: 249.9815 Da
Monoisotopic Mass: 1.2
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]+	250.98878	145.9
[M+Na]+	272.97072	158.0
[M+NH4]+	268.01532	153.2
[M+K]+	288.94466	154.0
[M-H]-	248.97422	148.0
[M+Na-2H]-	270.95617	151.3
[M]+	249.98095	148.7
[M]-	249.98205	148.7

Literature stripe

literature stripe

Patent stripe

patents stripe