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]+ 317.08083 170.2
[M+Na]+ 339.06277 180.4
[M-H]- 315.06627 177.0
[M+NH4]+ 334.10737 185.4
[M+K]+ 355.03671 174.2
[M+H-H2O]+ 299.07081 162.1
[M+HCOO]- 361.07175 188.3
[M+CH3COO]- 375.08740 181.6
[M+Na-2H]- 337.04822 175.2
[M]+ 316.07300 170.3
[M]- 316.07410 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.