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

82
Patents

195.0354 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.042676 149.4
[M+Na]+ 218.024618 159.6
[M-H]- 194.028124 152.3
[M+NH4]+ 213.069223 166.8
[M+K]+ 233.998558 155.6
[M+H-H2O]+ 178.032660 137.7
[M+HCOO]- 240.033601 163.3
[M+CH3COO]- 254.049251 189.2
[M+Na-2H]- 216.010066 153.5
[M]+ 195.03485142 145.4
[M]- 195.03594858 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