CID 79381

5397-34-2

Structural Information

Molecular Formula
C12H10O4S
SMILES
C1=CC=C(C(=C1)O)S(=O)(=O)C2=CC=C(C=C2)O
InChI
InChI=1S/C12H10O4S/c13-9-5-7-10(8-6-9)17(15,16)12-4-2-1-3-11(12)14/h1-8,13-14H
InChIKey
LROZSPADHSXFJA-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

4753
Patents

250.02998 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.03726 152.0
[M+Na]+ 273.01920 165.2
[M+NH4]+ 268.06380 159.5
[M+K]+ 288.99314 158.1
[M-H]- 249.02270 154.3
[M+Na-2H]- 271.00465 159.8
[M]+ 250.02943 155.0
[M]- 250.03053 155.0
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