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

77
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 149.4
[M+Na]+ 218.02462 159.6
[M-H]- 194.02812 152.3
[M+NH4]+ 213.06922 166.8
[M+K]+ 233.99856 155.6
[M+H-H2O]+ 178.03266 137.7
[M+HCOO]- 240.03360 163.3
[M+CH3COO]- 254.04925 189.2
[M+Na-2H]- 216.01007 153.5
[M]+ 195.03485 145.4
[M]- 195.03595 145.4
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

patents stripe