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

literature stripe

Patent stripe

patents stripe