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]+ 345.27883 193.2
[M+Na]+ 367.26077 194.6
[M-H]- 343.26427 194.1
[M+NH4]+ 362.30537 206.1
[M+K]+ 383.23471 189.9
[M+H-H2O]+ 327.26881 184.8
[M+HCOO]- 389.26975 211.8
[M+CH3COO]- 403.28540 217.2
[M+Na-2H]- 365.24622 191.2
[M]+ 344.27100 198.3
[M]- 344.27210 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