CID 3816778

4-cyano-n-(oxolan-2-ylmethyl)benzene-1-sulfonamide

Structural Information

Molecular Formula

C₁₂H₁₄N₂O₃S

SMILES

C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C12H14N2O3S/c13-8-10-3-5-12(6-4-10)18(15,16)14-9-11-2-1-7-17-11/h3-6,11,14H,1-2,7,9H2

InChIKey

XNLAYXFXWXYRNR-UHFFFAOYSA-N

Compound name

4-cyano-N-(oxolan-2-ylmethyl)benzenesulfonamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 266.0725 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]+	267.079776	166.4
[M+Na]+	289.061718	175.6
[M-H]-	265.065224	172.8
[M+NH4]+	284.106323	181.7
[M+K]+	305.035658	172.3
[M+H-H2O]+	249.069760	153.5
[M+HCOO]-	311.070701	180.5
[M+CH3COO]-	325.086351	203.7
[M+Na-2H]-	287.047166	169.0
[M]+	266.07195142	162.4
[M]-	266.07304858	162.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.