CID 17817955

100861-05-0

Structural Information

Molecular Formula

C₉H₁₃NO₃S

SMILES

CC(C)OC1=CC=C(C=C1)S(=O)(=O)N

InChI

InChI=1S/C9H13NO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3,(H2,10,11,12)

InChIKey

YXCVEVBSFYRSMF-UHFFFAOYSA-N

Compound name

4-propan-2-yloxybenzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 215.06161 Da
Monoisotopic Mass: 1.3
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]+	216.06889	145.5
[M+Na]+	238.05083	155.5
[M+NH4]+	233.09543	152.7
[M+K]+	254.02477	149.7
[M-H]-	214.05433	146.3
[M+Na-2H]-	236.03628	150.3
[M]+	215.06106	147.4
[M]-	215.06216	147.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe