CID 838564

4-phenoxybenzenesulfonamide

Structural Information

Molecular Formula
C12H11NO3S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)N
InChI
InChI=1S/C12H11NO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)
InChIKey
JVMQLNXAPHLKDV-UHFFFAOYSA-N
Compound name
4-phenoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

72
Patents

249.04596 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.05324 152.2
[M+Na]+ 272.03518 160.7
[M-H]- 248.03868 159.0
[M+NH4]+ 267.07978 169.1
[M+K]+ 288.00912 156.5
[M+H-H2O]+ 232.04322 145.2
[M+HCOO]- 294.04416 171.9
[M+CH3COO]- 308.05981 190.2
[M+Na-2H]- 270.02063 157.9
[M]+ 249.04541 153.8
[M]- 249.04651 153.8
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