CID 5744099

92103-30-5

Structural Information

Molecular Formula
C14H11ClO4
SMILES
CC(=O)OC1=CC(=CC2=C1C=CC=C2Cl)C(=O)OC
InChI
InChI=1S/C14H11ClO4/c1-8(16)19-13-7-9(14(17)18-2)6-11-10(13)4-3-5-12(11)15/h3-7H,1-2H3
InChIKey
VWNOQSFWRWWQDW-UHFFFAOYSA-N
Compound name
methyl 4-acetyloxy-8-chloronaphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.03458 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04186 156.2
[M+Na]+ 301.02380 170.7
[M+NH4]+ 296.06840 164.2
[M+K]+ 316.99774 164.2
[M-H]- 277.02730 158.0
[M+Na-2H]- 299.00925 162.1
[M]+ 278.03403 159.0
[M]- 278.03513 159.0
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.