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
4
Annotation Hits

1
References

5142
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 151.2
[M+Na]+ 273.01920 160.3
[M-H]- 249.02270 156.2
[M+NH4]+ 268.06380 167.5
[M+K]+ 288.99314 155.6
[M+H-H2O]+ 233.02724 145.2
[M+HCOO]- 295.02818 167.8
[M+CH3COO]- 309.04383 184.2
[M+Na-2H]- 271.00465 156.0
[M]+ 250.02943 152.7
[M]- 250.03053 152.7
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