CID 210035

20884-66-6

Structural Information

Molecular Formula

C₁₀H₁₃NO₃S

SMILES

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

InChI

InChI=1S/C10H13NO3S/c1-7(2)15(13,14)9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H2,11,12)

InChIKey

SCHHCBRKJGZVOR-UHFFFAOYSA-N

Compound name

4-propan-2-ylsulfonylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 227.06161 Da
Monoisotopic Mass: 0.7
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]+	228.06889	149.1
[M+Na]+	250.05083	158.6
[M+NH4]+	245.09543	155.7
[M+K]+	266.02477	153.2
[M-H]-	226.05433	149.3
[M+Na-2H]-	248.03628	153.2
[M]+	227.06106	150.7
[M]-	227.06216	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe