CID 50252

2,7-naphthalenediol, 1,1'-methylenedi-

Structural Information

Molecular Formula
C21H16O4
SMILES
C1=CC(=CC2=C1C=CC(=C2CC3=C(C=CC4=C3C=C(C=C4)O)O)O)O
InChI
InChI=1S/C21H16O4/c22-14-5-1-12-3-7-20(24)18(16(12)9-14)11-19-17-10-15(23)6-2-13(17)4-8-21(19)25/h1-10,22-25H,11H2
InChIKey
OQOANOQNIDTIHS-UHFFFAOYSA-N
Compound name
1-[(2,7-dihydroxynaphthalen-1-yl)methyl]naphthalene-2,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

413
Patents

332.10486 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11214 176.0
[M+Na]+ 355.09408 186.2
[M-H]- 331.09758 180.7
[M+NH4]+ 350.13868 189.5
[M+K]+ 371.06802 179.3
[M+H-H2O]+ 315.10212 168.2
[M+HCOO]- 377.10306 193.2
[M+CH3COO]- 391.11871 186.5
[M+Na-2H]- 353.07953 181.5
[M]+ 332.10431 177.2
[M]- 332.10541 177.2
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