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]+ 283.053576 188.2
[M+Na]+ 305.035518 199.2
[M-H]- 281.039024 193.0
[M+NH4]+ 300.080123 198.5
[M+K]+ 321.009458 192.9
[M+H-H2O]+ 265.043560 172.7
[M+HCOO]- 327.044501 195.7
[M+CH3COO]- 341.060151 222.1
[M+Na-2H]- 303.020966 187.5
[M]+ 282.04575142 180.6
[M]- 282.04684858 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.