CID 27459

2-chloro-3-methoxy-1,4-naphthoquinone

Structural Information

Molecular Formula
C11H7ClO3
SMILES
COC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
InChI
InChI=1S/C11H7ClO3/c1-15-11-8(12)9(13)6-4-2-3-5-7(6)10(11)14/h2-5H,1H3
InChIKey
MLABDRCTCNEFPX-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxynaphthalene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

222.00838 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.01566 140.4
[M+Na]+ 244.99760 156.2
[M+NH4]+ 240.04220 149.8
[M+K]+ 260.97154 148.7
[M-H]- 221.00110 143.2
[M+Na-2H]- 242.98305 147.3
[M]+ 222.00783 143.8
[M]- 222.00893 143.8
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