CID 12574638

3-phenylpropane-1-sulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
C1=CC=C(C=C1)CCCS(=O)(=O)N
InChI
InChI=1S/C9H13NO2S/c10-13(11,12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H2,10,11,12)
InChIKey
MCAXOOCHYNKTRY-UHFFFAOYSA-N
Compound name
3-phenylpropane-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

108
Patents

199.0667 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 142.4
[M+Na]+ 222.05592 152.9
[M+NH4]+ 217.10052 150.3
[M+K]+ 238.02986 145.4
[M-H]- 198.05942 143.8
[M+Na-2H]- 220.04137 148.2
[M]+ 199.06615 144.6
[M]- 199.06725 144.6
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