CID 84766

Phenol, 2,2'-sulfonylbis-

Structural Information

Molecular Formula
C12H10O4S
SMILES
C1=CC=C(C(=C1)O)S(=O)(=O)C2=CC=CC=C2O
InChI
InChI=1S/C12H10O4S/c13-9-5-1-3-7-11(9)17(15,16)12-8-4-2-6-10(12)14/h1-8,13-14H
InChIKey
QUWAJPZDCZDTJS-UHFFFAOYSA-N
Compound name
2-(2-hydroxyphenyl)sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

11382
Patents

250.02998 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.037256 151.2
[M+Na]+ 273.019198 160.3
[M-H]- 249.022704 156.2
[M+NH4]+ 268.063803 167.5
[M+K]+ 288.993138 155.6
[M+H-H2O]+ 233.027240 145.2
[M+HCOO]- 295.028181 167.8
[M+CH3COO]- 309.043831 184.2
[M+Na-2H]- 271.004646 156.0
[M]+ 250.02943142 152.7
[M]- 250.03052858 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