CID 371025

Nsc644902

Structural Information

Molecular Formula
C16H7ClO4
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)OC4=CC(=C(C=C43)Cl)O
InChI
InChI=1S/C16H7ClO4/c17-10-5-9-12(6-11(10)18)21-16-13(9)14(19)7-3-1-2-4-8(7)15(16)20/h1-6,18H
InChIKey
MELMDXKYKAAXAZ-UHFFFAOYSA-N
Compound name
2-chloro-3-hydroxynaphtho[3,2-b][1]benzofuran-6,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.0033 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.01058 160.6
[M+Na]+ 320.99252 175.2
[M-H]- 296.99602 168.2
[M+NH4]+ 316.03712 180.6
[M+K]+ 336.96646 169.6
[M+H-H2O]+ 281.00056 156.0
[M+HCOO]- 343.00150 177.0
[M+CH3COO]- 357.01715 174.8
[M+Na-2H]- 318.97797 167.2
[M]+ 298.00275 167.9
[M]- 298.00385 167.9
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

No patent data available for this compound.