CID 43135486

4-hydroxy-n-(prop-2-yn-1-yl)benzene-1-sulfonamide

Structural Information

Molecular Formula
C9H9NO3S
SMILES
C#CCNS(=O)(=O)C1=CC=C(C=C1)O
InChI
InChI=1S/C9H9NO3S/c1-2-7-10-14(12,13)9-5-3-8(11)4-6-9/h1,3-6,10-11H,7H2
InChIKey
NQZUZBWAMVQCBC-UHFFFAOYSA-N
Compound name
4-hydroxy-N-prop-2-ynylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.03032 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.037596 152.7
[M+Na]+ 234.019538 162.9
[M-H]- 210.023044 154.5
[M+NH4]+ 229.064143 169.0
[M+K]+ 249.993478 158.9
[M+H-H2O]+ 194.027580 141.3
[M+HCOO]- 256.028521 165.4
[M+CH3COO]- 270.044171 189.8
[M+Na-2H]- 232.004986 155.9
[M]+ 211.02977142 148.6
[M]- 211.03086858 148.6
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.