CID 517637

19224-26-1

Structural Information

Molecular Formula
C17H16O4
SMILES
CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H16O4/c1-13(21-17(19)15-10-6-3-7-11-15)12-20-16(18)14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKey
UMVMVEZHMZTUHD-UHFFFAOYSA-N
Compound name
2-benzoyloxypropyl benzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

0
References

4361
Patents

284.10486 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.112136 165.5
[M+Na]+ 307.094078 170.3
[M-H]- 283.097584 171.6
[M+NH4]+ 302.138683 180.2
[M+K]+ 323.068018 168.4
[M+H-H2O]+ 267.102120 157.3
[M+HCOO]- 329.103061 187.1
[M+CH3COO]- 343.118711 198.8
[M+Na-2H]- 305.079526 168.3
[M]+ 284.10431142 167.8
[M]- 284.10540858 167.8
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