CID 21519149

4-phenoxybenzenesulfonyl fluoride

Structural Information

Molecular Formula
C12H9FO3S
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)F
InChI
InChI=1S/C12H9FO3S/c13-17(14,15)12-8-6-11(7-9-12)16-10-4-2-1-3-5-10/h1-9H
InChIKey
PDXOBGGAZNQARB-UHFFFAOYSA-N
Compound name
4-phenoxybenzenesulfonyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

252.02565 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03293 150.5
[M+Na]+ 275.01487 159.9
[M-H]- 251.01837 156.6
[M+NH4]+ 270.05947 167.9
[M+K]+ 290.98881 155.9
[M+H-H2O]+ 235.02291 142.9
[M+HCOO]- 297.02385 168.9
[M+CH3COO]- 311.03950 188.5
[M+Na-2H]- 273.00032 156.0
[M]+ 252.02510 152.8
[M]- 252.02620 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe