CID 2747580

N,n-dimethyl-4-nitrobenzenesulfonamide

Structural Information

Molecular Formula

C₈H₁₀N₂O₄S

SMILES

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

InChI

InChI=1S/C8H10N2O4S/c1-9(2)15(13,14)8-5-3-7(4-6-8)10(11)12/h3-6H,1-2H3

InChIKey

ZCWXRMBVAKOURU-UHFFFAOYSA-N

Compound name

N,N-dimethyl-4-nitrobenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 76
Patents: 230.03613 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]+	231.04341	143.3
[M+Na]+	253.02535	154.3
[M+NH4]+	248.06995	150.4
[M+K]+	268.99929	151.3
[M-H]-	229.02885	145.6
[M+Na-2H]-	251.01080	149.0
[M]+	230.03558	145.7
[M]-	230.03668	145.7

Literature stripe

literature stripe

Patent stripe

patents stripe