CID 666890

Methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate

Structural Information

Molecular Formula
C16H14O6
SMILES
COC(=O)C1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H14O6/c1-21-16(20)10-2-5-12(6-3-10)22-9-15(19)13-7-4-11(17)8-14(13)18/h2-8,17-18H,9H2,1H3
InChIKey
ILFLFDSLJRPWIW-UHFFFAOYSA-N
Compound name
methyl 4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

5
Patents

302.07904 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 165.2
[M+Na]+ 325.06826 172.2
[M-H]- 301.07176 169.7
[M+NH4]+ 320.11286 178.5
[M+K]+ 341.04220 169.9
[M+H-H2O]+ 285.07630 157.7
[M+HCOO]- 347.07724 185.5
[M+CH3COO]- 361.09289 198.8
[M+Na-2H]- 323.05371 167.0
[M]+ 302.07849 168.3
[M]- 302.07959 168.3
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