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

literature stripe

Patent stripe

patents stripe