CID 2805762

4-cyano-n-(3-ethynylphenyl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C15H10N2O2S
SMILES
C#CC1=CC(=CC=C1)NS(=O)(=O)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C15H10N2O2S/c1-2-12-4-3-5-14(10-12)17-20(18,19)15-8-6-13(11-16)7-9-15/h1,3-10,17H
InChIKey
BVVCCXQNTAZSOF-UHFFFAOYSA-N
Compound name
4-cyano-N-(3-ethynylphenyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0463 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.05358 179.1
[M+Na]+ 305.03552 188.3
[M+NH4]+ 300.08012 179.5
[M+K]+ 321.00946 176.5
[M-H]- 281.03902 170.0
[M+Na-2H]- 303.02097 179.5
[M]+ 282.04575 176.9
[M]- 282.04685 176.9
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.