CID 23036635

1-benzoyl-2-hexadecanone

Structural Information

Molecular Formula
C23H36O2
SMILES
CCCCCCCCCCCCCCC(=O)CC(=O)C1=CC=CC=C1
InChI
InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-22(24)20-23(25)21-17-14-13-15-18-21/h13-15,17-18H,2-12,16,19-20H2,1H3
InChIKey
IPZRZZFTWQQXIU-UHFFFAOYSA-N
Compound name
1-phenylheptadecane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

344.27155 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.278826 193.2
[M+Na]+ 367.260768 194.6
[M-H]- 343.264274 194.1
[M+NH4]+ 362.305373 206.1
[M+K]+ 383.234708 189.9
[M+H-H2O]+ 327.268810 184.8
[M+HCOO]- 389.269751 211.8
[M+CH3COO]- 403.285401 217.2
[M+Na-2H]- 365.246216 191.2
[M]+ 344.27100142 198.3
[M]- 344.27209858 198.3
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