CID 179346

Bakeprofen

Structural Information

Molecular Formula
C16H14O4
SMILES
CC(C(=O)O)OC1=CC=CC(=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O4/c1-11(16(18)19)20-14-9-5-8-13(10-14)15(17)12-6-3-2-4-7-12/h2-11H,1H3,(H,18,19)
InChIKey
YGXYIWJVXOILPG-UHFFFAOYSA-N
Compound name
2-(3-benzoylphenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

270.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.9
[M+Na]+ 293.07842 165.5
[M-H]- 269.08192 165.1
[M+NH4]+ 288.12302 174.7
[M+K]+ 309.05236 163.0
[M+H-H2O]+ 253.08646 152.4
[M+HCOO]- 315.08740 180.3
[M+CH3COO]- 329.10305 195.8
[M+Na-2H]- 291.06387 162.1
[M]+ 270.08865 160.6
[M]- 270.08975 160.6
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