CID 4766

Phenol red

Structural Information

Molecular Formula
C19H14O5S
SMILES
C1=CC=C2C(=C1)C(OS2(=O)=O)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
InChI
InChI=1S/C19H14O5S/c20-15-9-5-13(6-10-15)19(14-7-11-16(21)12-8-14)17-3-1-2-4-18(17)25(22,23)24-19/h1-12,20-21H
InChIKey
BELBBZDIHDAJOR-UHFFFAOYSA-N
Compound name
4-[3-(4-hydroxyphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]phenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1057
References

102317
Patents

354.05618 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.06346 175.2
[M+Na]+ 377.04540 190.1
[M+NH4]+ 372.09000 186.0
[M+K]+ 393.01934 179.6
[M-H]- 353.04890 181.6
[M+Na-2H]- 375.03085 186.2
[M]+ 354.05563 180.1
[M]- 354.05673 180.1
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

patents stripe