CID 364885

Nsc631700

Structural Information

Molecular Formula
C20H12O4
SMILES
C1=CC=C2C(=C1)C=CC(=C2C3=CC(=O)C(=O)C4=C3C=C(C=C4)O)O
InChI
InChI=1S/C20H12O4/c21-12-6-7-14-15(9-12)16(10-18(23)20(14)24)19-13-4-2-1-3-11(13)5-8-17(19)22/h1-10,21-22H
InChIKey
VNUAKVWFRMEBEP-UHFFFAOYSA-N
Compound name
6-hydroxy-4-(2-hydroxynaphthalen-1-yl)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.07355 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.080826 170.2
[M+Na]+ 339.062768 180.4
[M-H]- 315.066274 177.0
[M+NH4]+ 334.107373 185.4
[M+K]+ 355.036708 174.2
[M+H-H2O]+ 299.070810 162.1
[M+HCOO]- 361.071751 188.3
[M+CH3COO]- 375.087401 181.6
[M+Na-2H]- 337.048216 175.2
[M]+ 316.07300142 170.3
[M]- 316.07409858 170.3
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.