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]+ 381.169656 192.8
[M+Na]+ 403.151598 196.2
[M-H]- 379.155104 198.0
[M+NH4]+ 398.196203 203.5
[M+K]+ 419.125538 192.5
[M+H-H2O]+ 363.159640 183.4
[M+HCOO]- 425.160581 212.8
[M+CH3COO]- 439.176231 218.2
[M+Na-2H]- 401.137046 191.8
[M]+ 380.16183142 197.6
[M]- 380.16292858 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