CID 275627

2-benzoylcyclohexanone

Structural Information

Molecular Formula
C13H14O2
SMILES
C1CCC(=O)C(C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H14O2/c14-12-9-5-4-8-11(12)13(15)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9H2
InChIKey
YTVQIZRDLKWECQ-UHFFFAOYSA-N
Compound name
2-benzoylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

2905
Patents

202.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 143.7
[M+Na]+ 225.088598 148.8
[M-H]- 201.092104 149.6
[M+NH4]+ 220.133203 162.1
[M+K]+ 241.062538 146.2
[M+H-H2O]+ 185.096640 136.8
[M+HCOO]- 247.097581 163.9
[M+CH3COO]- 261.113231 184.4
[M+Na-2H]- 223.074046 147.4
[M]+ 202.09883142 139.3
[M]- 202.09992858 139.3
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