CID 94003

2-(benzoyloxymethyl)benzoic acid

Structural Information

Molecular Formula
C15H12O4
SMILES
C1=CC=C(C=C1)C(=O)OCC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12O4/c16-14(17)13-9-5-4-8-12(13)10-19-15(18)11-6-2-1-3-7-11/h1-9H,10H2,(H,16,17)
InChIKey
QDENBWUYSUBCID-UHFFFAOYSA-N
Compound name
2-(benzoyloxymethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

256.07355 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08083 156.6
[M+Na]+ 279.06277 169.7
[M+NH4]+ 274.10737 163.6
[M+K]+ 295.03671 163.7
[M-H]- 255.06627 159.3
[M+Na-2H]- 277.04822 164.5
[M]+ 256.07300 159.1
[M]- 256.07410 159.1
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