CID 57173257

1448009-94-6

Structural Information

Molecular Formula
C16H12O3
SMILES
C1=CC2=C(C=CC(=C2)O)C=C1C3=CC(=C(C=C3)O)O
InChI
InChI=1S/C16H12O3/c17-14-5-3-11-7-10(1-2-12(11)8-14)13-4-6-15(18)16(19)9-13/h1-9,17-19H
InChIKey
LDFFDYWHCCDSBO-UHFFFAOYSA-N
Compound name
4-(6-hydroxynaphthalen-2-yl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

252.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.08592 154.3
[M+Na]+ 275.06786 163.7
[M-H]- 251.07136 159.0
[M+NH4]+ 270.11246 170.7
[M+K]+ 291.04180 158.0
[M+H-H2O]+ 235.07590 147.7
[M+HCOO]- 297.07684 173.9
[M+CH3COO]- 311.09249 166.4
[M+Na-2H]- 273.05331 160.4
[M]+ 252.07809 153.3
[M]- 252.07919 153.3
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