CID 78248

Tetradecanophenone

Structural Information

Molecular Formula
C20H32O
SMILES
CCCCCCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C20H32O/c1-2-3-4-5-6-7-8-9-10-11-15-18-20(21)19-16-13-12-14-17-19/h12-14,16-17H,2-11,15,18H2,1H3
InChIKey
LXUIUVLDNRQBQJ-UHFFFAOYSA-N
Compound name
1-phenyltetradecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

352
Patents

288.24533 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.25261 177.2
[M+Na]+ 311.23455 179.9
[M-H]- 287.23805 178.7
[M+NH4]+ 306.27915 192.7
[M+K]+ 327.20849 175.6
[M+H-H2O]+ 271.24259 169.4
[M+HCOO]- 333.24353 197.5
[M+CH3COO]- 347.25918 206.5
[M+Na-2H]- 309.22000 178.1
[M]+ 288.24478 181.2
[M]- 288.24588 181.2
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