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 166.4
[M+Na]+ 289.06172 175.6
[M-H]- 265.06522 172.8
[M+NH4]+ 284.10632 181.7
[M+K]+ 305.03566 172.3
[M+H-H2O]+ 249.06976 153.5
[M+HCOO]- 311.07070 180.5
[M+CH3COO]- 325.08635 203.7
[M+Na-2H]- 287.04717 169.0
[M]+ 266.07195 162.4
[M]- 266.07305 162.4
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.