CID 6755

Lawsone

Structural Information

Molecular Formula
C10H6O3
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)O
InChI
InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,11H
InChIKey
WVCHIGAIXREVNS-UHFFFAOYSA-N
Compound name
4-hydroxynaphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

450
References

16395
Patents

174.0317 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03898 130.0
[M+Na]+ 197.02092 140.3
[M-H]- 173.02442 134.1
[M+NH4]+ 192.06552 151.1
[M+K]+ 212.99486 137.2
[M+H-H2O]+ 157.02896 124.9
[M+HCOO]- 219.02990 152.3
[M+CH3COO]- 233.04555 177.4
[M+Na-2H]- 195.00637 137.6
[M]+ 174.03115 129.9
[M]- 174.03225 129.9
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.