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: 16
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]+	228.068886	147.5
[M+Na]+	250.050828	154.8
[M-H]-	226.054334	150.9
[M+NH4]+	245.095433	165.4
[M+K]+	266.024768	152.2
[M+H-H2O]+	210.058870	141.6
[M+HCOO]-	272.059811	164.2
[M+CH3COO]-	286.075461	189.1
[M+Na-2H]-	248.036276	149.2
[M]+	227.06106142	148.9
[M]-	227.06215858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe