CID 21978067

4-propoxybenzenesulfonamide

Structural Information

Molecular Formula
C9H13NO3S
SMILES
CCCOC1=CC=C(C=C1)S(=O)(=O)N
InChI
InChI=1S/C9H13NO3S/c1-2-7-13-8-3-5-9(6-4-8)14(10,11)12/h3-6H,2,7H2,1H3,(H2,10,11,12)
InChIKey
GWLVKQMJYAXAFM-UHFFFAOYSA-N
Compound name
4-propoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

215.06161 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.06889 144.3
[M+Na]+ 238.05083 152.5
[M-H]- 214.05433 147.8
[M+NH4]+ 233.09543 163.0
[M+K]+ 254.02477 149.6
[M+H-H2O]+ 198.05887 138.3
[M+HCOO]- 260.05981 163.3
[M+CH3COO]- 274.07546 185.3
[M+Na-2H]- 236.03628 148.6
[M]+ 215.06106 147.3
[M]- 215.06216 147.3
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