CID 66780

96-59-3

Structural Information

Molecular Formula

C₉H₁₁ClN₂O₄S

SMILES

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

InChI

InChI=1S/C9H11ClN2O4S/c1-6(2)11-17(15,16)7-3-4-8(10)9(5-7)12(13)14/h3-6,11H,1-2H3

InChIKey

KFKCKBPFUJOIQG-UHFFFAOYSA-N

Compound name

4-chloro-3-nitro-N-propan-2-ylbenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 8
Patents: 278.01282 Da
Monoisotopic Mass: 2.0
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]+	279.02010	154.3
[M+Na]+	301.00204	165.6
[M+NH4]+	296.04664	161.1
[M+K]+	316.97598	162.0
[M-H]-	277.00554	156.1
[M+Na-2H]-	298.98749	158.9
[M]+	278.01227	156.9
[M]-	278.01337	156.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe