CID 2054598

4-(4-allyloxy-benzenesulfonyl)-phenol

Structural Information

Molecular Formula
C15H14O4S
SMILES
C=CCOC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O4S/c1-2-11-19-13-5-9-15(10-6-13)20(17,18)14-7-3-12(16)4-8-14/h2-10,16H,1,11H2
InChIKey
FKZIDBGIZLBDDF-UHFFFAOYSA-N
Compound name
4-(4-prop-2-enoxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

708
Patents

290.06128 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.06856 163.6
[M+Na]+ 313.05050 172.1
[M-H]- 289.05400 169.4
[M+NH4]+ 308.09510 178.8
[M+K]+ 329.02444 167.0
[M+H-H2O]+ 273.05854 156.7
[M+HCOO]- 335.05948 180.9
[M+CH3COO]- 349.07513 194.8
[M+Na-2H]- 311.03595 167.3
[M]+ 290.06073 167.2
[M]- 290.06183 167.2
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