CID 221768

Ethyl 2-benzoylbenzoate

Structural Information

Molecular Formula
C16H14O3
SMILES
CCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H14O3/c1-2-19-16(18)14-11-7-6-10-13(14)15(17)12-8-4-3-5-9-12/h3-11H,2H2,1H3
InChIKey
CGWFVEFHQWJOKI-UHFFFAOYSA-N
Compound name
ethyl 2-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1301
Patents

254.0943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.10158 157.4
[M+Na]+ 277.08352 171.3
[M+NH4]+ 272.12812 165.2
[M+K]+ 293.05746 164.3
[M-H]- 253.08702 161.1
[M+Na-2H]- 275.06897 166.2
[M]+ 254.09375 160.4
[M]- 254.09485 160.4
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