CID 257467

N-allylbenzenesulfonamide

Structural Information

Molecular Formula
C9H11NO2S
SMILES
C=CCNS(=O)(=O)C1=CC=CC=C1
InChI
InChI=1S/C9H11NO2S/c1-2-8-10-13(11,12)9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChIKey
AUSDMZUIKMAAEN-UHFFFAOYSA-N
Compound name
N-prop-2-enylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

303
Patents

197.05106 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.05834 140.1
[M+Na]+ 220.04028 147.9
[M-H]- 196.04378 143.9
[M+NH4]+ 215.08488 159.5
[M+K]+ 236.01422 144.2
[M+H-H2O]+ 180.04832 134.2
[M+HCOO]- 242.04926 159.7
[M+CH3COO]- 256.06491 181.8
[M+Na-2H]- 218.02573 145.9
[M]+ 197.05051 141.6
[M]- 197.05161 141.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe