CID 81244

Octadecanophenone

Structural Information

Molecular Formula
C24H40O
SMILES
CCCCCCCCCCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C24H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(25)23-20-17-16-18-21-23/h16-18,20-21H,2-15,19,22H2,1H3
InChIKey
DBLXXVQTWJFJFI-UHFFFAOYSA-N
Compound name
1-phenyloctadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

541
Patents

344.30792 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.31520 195.3
[M+Na]+ 367.29714 196.3
[M-H]- 343.30064 196.0
[M+NH4]+ 362.34174 208.4
[M+K]+ 383.27108 190.9
[M+H-H2O]+ 327.30518 186.7
[M+HCOO]- 389.30612 214.2
[M+CH3COO]- 403.32177 218.4
[M+Na-2H]- 365.28259 194.0
[M]+ 344.30737 200.7
[M]- 344.30847 200.7
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