CID 4069869

Phenyl 4-(phenylsulfonyl)-1-hydroxy-2-naphthoate

Structural Information

Molecular Formula
C23H16O5S
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)C4=CC=CC=C4)O
InChI
InChI=1S/C23H16O5S/c24-22-19-14-8-7-13-18(19)21(29(26,27)17-11-5-2-6-12-17)15-20(22)23(25)28-16-9-3-1-4-10-16/h1-15,24H
InChIKey
VSZGXZSYPHDPSY-UHFFFAOYSA-N
Compound name
phenyl 4-(benzenesulfonyl)-1-hydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

404.07184 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.07912 193.6
[M+Na]+ 427.06106 201.2
[M-H]- 403.06456 202.9
[M+NH4]+ 422.10566 204.2
[M+K]+ 443.03500 195.6
[M+H-H2O]+ 387.06910 184.4
[M+HCOO]- 449.07004 208.2
[M+CH3COO]- 463.08569 216.5
[M+Na-2H]- 425.04651 197.9
[M]+ 404.07129 197.0
[M]- 404.07239 197.0
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