CID 2265561

4-propylbenzenesulfonamide

Structural Information

Molecular Formula
C9H13NO2S
SMILES
CCCC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C9H13NO2S/c1-2-3-8-4-6-9(7-5-8)13(10,11)12/h4-7H,2-3H2,1H3,(H2,10,11,12)
InChIKey
CICCMHNIYTXWRF-UHFFFAOYSA-N
Compound name
4-propylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

356
Patents

199.0667 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07398 141.0
[M+Na]+ 222.05592 149.3
[M-H]- 198.05942 144.5
[M+NH4]+ 217.10052 160.4
[M+K]+ 238.02986 146.0
[M+H-H2O]+ 182.06396 135.3
[M+HCOO]- 244.06490 159.8
[M+CH3COO]- 258.08055 183.2
[M+Na-2H]- 220.04137 145.1
[M]+ 199.06615 142.5
[M]- 199.06725 142.5
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