CID 12837

Cyclohexyl phenyl ketone

Structural Information

Molecular Formula
C13H16O
SMILES
C1CCC(CC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H16O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2
InChIKey
BMFYCFSWWDXEPB-UHFFFAOYSA-N
Compound name
cyclohexyl(phenyl)methanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

5211
Patents

188.12012 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 143.7
[M+Na]+ 211.10934 156.4
[M+NH4]+ 206.15394 153.5
[M+K]+ 227.08328 148.7
[M-H]- 187.11284 148.5
[M+Na-2H]- 209.09479 152.2
[M]+ 188.11957 146.9
[M]- 188.12067 146.9
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