CID 6481349

Schembl416484

Structural Information

Molecular Formula
C19H15ClO4S
SMILES
C1=CC(=CC=C1COC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)O)Cl
InChI
InChI=1S/C19H15ClO4S/c20-15-3-1-14(2-4-15)13-24-17-7-11-19(12-8-17)25(22,23)18-9-5-16(21)6-10-18/h1-12,21H,13H2
InChIKey
VNJVQTIODPTUIG-UHFFFAOYSA-N
Compound name
4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

158
Patents

374.03796 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.04524 183.0
[M+Na]+ 397.02718 192.3
[M-H]- 373.03068 192.1
[M+NH4]+ 392.07178 195.5
[M+K]+ 413.00112 185.5
[M+H-H2O]+ 357.03522 175.5
[M+HCOO]- 419.03616 195.6
[M+CH3COO]- 433.05181 208.5
[M+Na-2H]- 395.01263 186.3
[M]+ 374.03741 188.7
[M]- 374.03851 188.7
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

No patent data available for this compound.