CID 489346

6-(3,4-dihydroxyphenyl)naphthalene-2,3-diol

Structural Information

Molecular Formula
C16H12O4
SMILES
C1=CC2=CC(=C(C=C2C=C1C3=CC(=C(C=C3)O)O)O)O
InChI
InChI=1S/C16H12O4/c17-13-4-3-10(6-14(13)18)9-1-2-11-7-15(19)16(20)8-12(11)5-9/h1-8,17-20H
InChIKey
RHRGPVYNLSTBIN-UHFFFAOYSA-N
Compound name
6-(3,4-dihydroxyphenyl)naphthalene-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

268.07355 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.08083 157.8
[M+Na]+ 291.06277 167.4
[M-H]- 267.06627 161.5
[M+NH4]+ 286.10737 173.1
[M+K]+ 307.03671 161.9
[M+H-H2O]+ 251.07081 151.4
[M+HCOO]- 313.07175 176.0
[M+CH3COO]- 327.08740 169.4
[M+Na-2H]- 289.04822 162.8
[M]+ 268.07300 156.9
[M]- 268.07410 156.9
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.