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

633
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 181.5
[M+Na]+ 397.01748 195.2
[M+NH4]+ 392.06208 188.3
[M+K]+ 412.99142 185.7
[M-H]- 373.02098 185.5
[M+Na-2H]- 395.00293 191.2
[M]+ 374.02771 185.7
[M]- 374.02881 185.7
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