CID 3017271

6-(acryloyloxy)hexyl o-benzoylbenzoate

Structural Information

Molecular Formula
C23H24O5
SMILES
C=CC(=O)OCCCCCCOC(=O)C1=CC=CC=C1C(=O)C2=CC=CC=C2
InChI
InChI=1S/C23H24O5/c1-2-21(24)27-16-10-3-4-11-17-28-23(26)20-15-9-8-14-19(20)22(25)18-12-6-5-7-13-18/h2,5-9,12-15H,1,3-4,10-11,16-17H2
InChIKey
JBYFBBJPUAPECR-UHFFFAOYSA-N
Compound name
6-prop-2-enoyloxyhexyl 2-benzoylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

380.16238 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.16966 192.8
[M+Na]+ 403.15160 196.2
[M-H]- 379.15510 198.0
[M+NH4]+ 398.19620 203.5
[M+K]+ 419.12554 192.5
[M+H-H2O]+ 363.15964 183.4
[M+HCOO]- 425.16058 212.8
[M+CH3COO]- 439.17623 218.2
[M+Na-2H]- 401.13705 191.8
[M]+ 380.16183 197.6
[M]- 380.16293 197.6
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