CID 129210849

4-ethynyl-n,n-dimethylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C10H11NO2S
SMILES
CN(C)S(=O)(=O)C1=CC=C(C=C1)C#C
InChI
InChI=1S/C10H11NO2S/c1-4-9-5-7-10(8-6-9)14(12,13)11(2)3/h1,5-8H,2-3H3
InChIKey
ZEEFKRPBSPCJOE-UHFFFAOYSA-N
Compound name
4-ethynyl-N,N-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.05106 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.05834 152.0
[M+Na]+ 232.04028 162.6
[M-H]- 208.04378 156.4
[M+NH4]+ 227.08488 169.7
[M+K]+ 248.01422 159.8
[M+H-H2O]+ 192.04832 140.2
[M+HCOO]- 254.04926 166.0
[M+CH3COO]- 268.06491 196.0
[M+Na-2H]- 230.02573 154.5
[M]+ 209.05051 149.8
[M]- 209.05161 149.8
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