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 165.0
[M+Na]+ 325.06826 171.8
[M-H]- 301.07176 169.4
[M+NH4]+ 320.11286 178.2
[M+K]+ 341.04220 169.6
[M+H-H2O]+ 285.07630 157.4
[M+HCOO]- 347.07724 185.2
[M+CH3COO]- 361.09289 199.5
[M+Na-2H]- 323.05371 166.7
[M]+ 302.07849 168.2
[M]- 302.07959 168.2
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.