CID 5273911

2,2-dihydroxy-1-(4-phenylsulfanylphenyl)ethanone

Structural Information

Molecular Formula
C14H12O3S
SMILES
C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C(O)O
InChI
InChI=1S/C14H12O3S/c15-13(14(16)17)10-6-8-12(9-7-10)18-11-4-2-1-3-5-11/h1-9,14,16-17H
InChIKey
JRSFURCAEZUYBJ-UHFFFAOYSA-N
Compound name
2,2-dihydroxy-1-(4-phenylsulfanylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

260.05072 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.05800 156.3
[M+Na]+ 283.03994 162.5
[M-H]- 259.04344 160.3
[M+NH4]+ 278.08454 171.6
[M+K]+ 299.01388 158.0
[M+H-H2O]+ 243.04798 149.6
[M+HCOO]- 305.04892 171.3
[M+CH3COO]- 319.06457 188.9
[M+Na-2H]- 281.02539 157.7
[M]+ 260.05017 156.6
[M]- 260.05127 156.6
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

No patent data available for this compound.