CID 72225866

1243451-33-3

Structural Information

Molecular Formula

C₉H₁₁NO₃S

SMILES

C1CC1OC2=CC=CC=C2S(=O)(=O)N

InChI

InChI=1S/C9H11NO3S/c10-14(11,12)9-4-2-1-3-8(9)13-7-5-6-7/h1-4,7H,5-6H2,(H2,10,11,12)

InChIKey

FAAFPHPEBJIHFE-UHFFFAOYSA-N

Compound name

2-cyclopropyloxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 213.04596 Da
Monoisotopic Mass: 1.0
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]+	214.05324	139.3
[M+Na]+	236.03518	149.0
[M-H]-	212.03868	146.7
[M+NH4]+	231.07978	153.1
[M+K]+	252.00912	145.3
[M+H-H2O]+	196.04322	133.0
[M+HCOO]-	258.04416	158.9
[M+CH3COO]-	272.05981	187.0
[M+Na-2H]-	234.02063	144.5
[M]+	213.04541	143.4
[M]-	213.04651	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe