CID 363042

65120-69-6

Structural Information

Molecular Formula
C11H7ClO4
SMILES
COC1=CC2=C(C(=C1)O)C(=O)C(=CC2=O)Cl
InChI
InChI=1S/C11H7ClO4/c1-16-5-2-6-8(13)4-7(12)11(15)10(6)9(14)3-5/h2-4,14H,1H3
InChIKey
CEQWFJADWPVYTH-UHFFFAOYSA-N
Compound name
2-chloro-8-hydroxy-6-methoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.00328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.01056 142.7
[M+Na]+ 260.99250 155.0
[M-H]- 236.99600 147.2
[M+NH4]+ 256.03710 162.6
[M+K]+ 276.96644 150.7
[M+H-H2O]+ 221.00054 138.6
[M+HCOO]- 283.00148 160.3
[M+CH3COO]- 297.01713 189.0
[M+Na-2H]- 258.97795 148.1
[M]+ 238.00273 147.4
[M]- 238.00383 147.4
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.