CID 43173306

2-(3-formylphenoxy)-2-phenylacetic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC(=C2)C=O
InChI
InChI=1S/C15H12O4/c16-10-11-5-4-8-13(9-11)19-14(15(17)18)12-6-2-1-3-7-12/h1-10,14H,(H,17,18)
InChIKey
PHEHCULHBCXQKW-UHFFFAOYSA-N
Compound name
2-(3-formylphenoxy)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

256.07355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.080826 155.5
[M+Na]+ 279.062768 161.8
[M-H]- 255.066274 160.8
[M+NH4]+ 274.107373 170.9
[M+K]+ 295.036708 159.0
[M+H-H2O]+ 239.070810 148.0
[M+HCOO]- 301.071751 177.2
[M+CH3COO]- 315.087401 191.9
[M+Na-2H]- 277.048216 159.4
[M]+ 256.07300142 156.5
[M]- 256.07409858 156.5
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

patents stripe