CID 11974266

6655-27-2

Structural Information

Molecular Formula

C₉H₁₁N₃O₄S

SMILES

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

InChI

InChI=1S/C9H11N3O4S/c1-7(2)10-11-17(15,16)9-6-4-3-5-8(9)12(13)14/h3-6,11H,1-2H3

InChIKey

SBNYNTYNEJTMQO-UHFFFAOYSA-N

Compound name

2-nitro-N-(propan-2-ylideneamino)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 34
Patents: 257.04703 Da
Monoisotopic Mass: 0.9
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]+	258.05431	150.4
[M+Na]+	280.03625	159.9
[M+NH4]+	275.08085	156.5
[M+K]+	296.01019	157.0
[M-H]-	256.03975	152.6
[M+Na-2H]-	278.02170	155.4
[M]+	257.04648	152.3
[M]-	257.04758	152.3

Literature stripe

literature stripe

Patent stripe

patents stripe