CID 117278

25774-02-1

Structural Information

Molecular Formula
C16H14O4
SMILES
C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H14O4/c17-15(18)14(13-9-5-2-6-10-13)16(19)20-11-12-7-3-1-4-8-12/h1-10,14H,11H2,(H,17,18)
InChIKey
QSBAHMROFICXDC-UHFFFAOYSA-N
Compound name
3-oxo-2-phenyl-3-phenylmethoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

177
Patents

270.0892 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.096476 160.9
[M+Na]+ 293.078418 165.6
[M-H]- 269.081924 165.7
[M+NH4]+ 288.123023 175.4
[M+K]+ 309.052358 163.0
[M+H-H2O]+ 253.086460 153.1
[M+HCOO]- 315.087401 181.3
[M+CH3COO]- 329.103051 194.0
[M+Na-2H]- 291.063866 163.7
[M]+ 270.08865142 161.1
[M]- 270.08974858 161.1
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