CID 11287036

N-(prop-2-yn-1-yl)benzenesulfonamide

Structural Information

Molecular Formula
C9H9NO2S
SMILES
C#CCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H9NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h1,3-7,10H,8H2
InChIKey
UBKNDYQTOPYHPO-UHFFFAOYSA-N
Compound name
N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

72
Patents

195.0354 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.04268 139.3
[M+Na]+ 218.02462 150.0
[M+NH4]+ 213.06922 143.6
[M+K]+ 233.99856 139.9
[M-H]- 194.02812 132.8
[M+Na-2H]- 216.01007 142.6
[M]+ 195.03485 138.5
[M]- 195.03595 138.5
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

patents stripe