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 188.2
[M+Na]+ 305.03552 199.2
[M-H]- 281.03902 193.0
[M+NH4]+ 300.08012 198.5
[M+K]+ 321.00946 192.9
[M+H-H2O]+ 265.04356 172.7
[M+HCOO]- 327.04450 195.7
[M+CH3COO]- 341.06015 222.1
[M+Na-2H]- 303.02097 187.5
[M]+ 282.04575 180.6
[M]- 282.04685 180.6
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.