CID 53183

Brn 2296293

Structural Information

Molecular Formula
C16H14O6
SMILES
COC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)OCC(=O)O)O
InChI
InChI=1S/C16H14O6/c1-21-12-6-7-13(14(17)8-12)16(20)10-2-4-11(5-3-10)22-9-15(18)19/h2-8,17H,9H2,1H3,(H,18,19)
InChIKey
IOLLGHLUCUSEOR-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxy-4-methoxybenzoyl)phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.07904 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08632 166.6
[M+Na]+ 325.06826 178.7
[M+NH4]+ 320.11286 171.9
[M+K]+ 341.04220 174.4
[M-H]- 301.07176 167.9
[M+Na-2H]- 323.05371 172.3
[M]+ 302.07849 168.4
[M]- 302.07959 168.4
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.