CID 9951483

2,4-bis(phenylsulfonyl)phenol

Structural Information

Molecular Formula
C18H14O5S2
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)O)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O5S2/c19-17-12-11-16(24(20,21)14-7-3-1-4-8-14)13-18(17)25(22,23)15-9-5-2-6-10-15/h1-13,19H
InChIKey
LCJQCYQTWIAJBE-UHFFFAOYSA-N
Compound name
2,4-bis(benzenesulfonyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

689
Patents

374.02826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03554 184.9
[M+Na]+ 397.01748 193.3
[M-H]- 373.02098 193.1
[M+NH4]+ 392.06208 196.1
[M+K]+ 412.99142 186.5
[M+H-H2O]+ 357.02552 177.1
[M+HCOO]- 419.02646 196.0
[M+CH3COO]- 433.04211 206.4
[M+Na-2H]- 395.00293 189.6
[M]+ 374.02771 187.6
[M]- 374.02881 187.6
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