CID 74292

Dodecanophenone

Structural Information

Molecular Formula
C18H28O
SMILES
CCCCCCCCCCCC(=O)C1=CC=CC=C1
InChI
InChI=1S/C18H28O/c1-2-3-4-5-6-7-8-9-13-16-18(19)17-14-11-10-12-15-17/h10-12,14-15H,2-9,13,16H2,1H3
InChIKey
DJNJZIFFCJTUDS-UHFFFAOYSA-N
Compound name
1-phenyldodecan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

4
References

610
Patents

260.21402 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.22130 168.0
[M+Na]+ 283.20324 171.6
[M-H]- 259.20674 169.9
[M+NH4]+ 278.24784 184.7
[M+K]+ 299.17718 167.8
[M+H-H2O]+ 243.21128 160.7
[M+HCOO]- 305.21222 189.0
[M+CH3COO]- 319.22787 200.5
[M+Na-2H]- 281.18869 170.0
[M]+ 260.21347 171.3
[M]- 260.21457 171.3
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