CID 604249

54978-55-1

Structural Information

Molecular Formula
C17H12O4
SMILES
C1=CC=C(C=C1)OC(=O)C2=C(C3=CC=CC=C3C(=C2)O)O
InChI
InChI=1S/C17H12O4/c18-15-10-14(16(19)13-9-5-4-8-12(13)15)17(20)21-11-6-2-1-3-7-11/h1-10,18-19H
InChIKey
XDUXGEPGVNWEBQ-UHFFFAOYSA-N
Compound name
phenyl 1,4-dihydroxynaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

440
Patents

280.07355 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.08083 161.0
[M+Na]+ 303.06277 169.2
[M-H]- 279.06627 166.5
[M+NH4]+ 298.10737 176.4
[M+K]+ 319.03671 164.8
[M+H-H2O]+ 263.07081 153.5
[M+HCOO]- 325.07175 181.0
[M+CH3COO]- 339.08740 195.2
[M+Na-2H]- 301.04822 166.5
[M]+ 280.07300 161.6
[M]- 280.07410 161.6
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

No patent data available for this compound.