CID 170173

4-(oxoacetyl)phenoxyacetate

Structural Information

Molecular Formula
C10H8O5
SMILES
C1=CC(=CC=C1C(=O)C=O)OCC(=O)O
InChI
InChI=1S/C10H8O5/c11-5-9(12)7-1-3-8(4-2-7)15-6-10(13)14/h1-5H,6H2,(H,13,14)
InChIKey
GUKBSZIPEVVOGO-UHFFFAOYSA-N
Compound name
2-(4-oxaldehydoylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

208.03717 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.044446 139.8
[M+Na]+ 231.026388 147.3
[M-H]- 207.029894 142.3
[M+NH4]+ 226.070993 157.6
[M+K]+ 247.000328 146.2
[M+H-H2O]+ 191.034430 133.9
[M+HCOO]- 253.035371 162.2
[M+CH3COO]- 267.051021 182.3
[M+Na-2H]- 229.011836 144.0
[M]+ 208.03662142 142.4
[M]- 208.03771858 142.4
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