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

6
Patents

256.07355 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 155.5
[M+Na]+ 279.06277 161.8
[M-H]- 255.06627 160.8
[M+NH4]+ 274.10737 170.9
[M+K]+ 295.03671 159.0
[M+H-H2O]+ 239.07081 148.0
[M+HCOO]- 301.07175 177.2
[M+CH3COO]- 315.08740 191.9
[M+Na-2H]- 277.04822 159.4
[M]+ 256.07300 156.5
[M]- 256.07410 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