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

469
Patents

374.02826 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.035536 184.9
[M+Na]+ 397.017478 193.3
[M-H]- 373.020984 193.1
[M+NH4]+ 392.062083 196.1
[M+K]+ 412.991418 186.5
[M+H-H2O]+ 357.025520 177.1
[M+HCOO]- 419.026461 196.0
[M+CH3COO]- 433.042111 206.4
[M+Na-2H]- 395.002926 189.6
[M]+ 374.02771142 187.6
[M]- 374.02880858 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