CID 54452075

Carboxin m1 (p/v-10)

Structural Information

Molecular Formula

C₁₀H₁₁NO₃S

SMILES

C=CS(=O)(=O)CC(=O)NC1=CC=CC=C1

InChI

InChI=1S/C10H11NO3S/c1-2-15(13,14)8-10(12)11-9-6-4-3-5-7-9/h2-7H,1,8H2,(H,11,12)

InChIKey

WVQBCFXRHHBEQV-UHFFFAOYSA-N

Compound name

2-ethenylsulfonyl-N-phenylacetamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 4
Patents: 225.04596 Da
Monoisotopic Mass: 1.5
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]+	226.05324	147.2
[M+Na]+	248.03518	154.4
[M-H]-	224.03868	150.9
[M+NH4]+	243.07978	165.3
[M+K]+	264.00912	151.0
[M+H-H2O]+	208.04322	141.1
[M+HCOO]-	270.04416	165.9
[M+CH3COO]-	284.05981	186.1
[M+Na-2H]-	246.02063	151.6
[M]+	225.04541	149.1
[M]-	225.04651	149.1

Literature stripe

literature stripe

Patent stripe

patents stripe