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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 157.9
[M+Na]+ 289.06172 166.9
[M+NH4]+ 284.10632 161.7
[M+K]+ 305.03566 158.9
[M-H]- 265.06522 153.8
[M+Na-2H]- 287.04717 160.2
[M]+ 266.07195 157.4
[M]- 266.07305 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.