CID 3071625

137987-93-0

Structural Information

Molecular Formula
C16H14O6
SMILES
CC(=O)OC1=CC=C(C=C1)OCC(=O)C2=C(C=C(C=C2)O)O
InChI
InChI=1S/C16H14O6/c1-10(17)22-13-5-3-12(4-6-13)21-9-16(20)14-7-2-11(18)8-15(14)19/h2-8,18-19H,9H2,1H3
InChIKey
OQTIVEVHHWLUFX-UHFFFAOYSA-N
Compound name
[4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

2.9
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

No patent data available for this compound.