CID 117973926

2-(benzyloxy)-4,4-difluorocyclohexan-1-one

Structural Information

Molecular Formula
C13H14F2O2
SMILES
C1CC(CC(C1=O)OCC2=CC=CC=C2)(F)F
InChI
InChI=1S/C13H14F2O2/c14-13(15)7-6-11(16)12(8-13)17-9-10-4-2-1-3-5-10/h1-5,12H,6-9H2
InChIKey
MUZQXVXIAFZBSU-UHFFFAOYSA-N
Compound name
4,4-difluoro-2-phenylmethoxycyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

240.09619 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10347 150.9
[M+Na]+ 263.08541 158.0
[M-H]- 239.08891 154.7
[M+NH4]+ 258.13001 170.2
[M+K]+ 279.05935 154.9
[M+H-H2O]+ 223.09345 142.5
[M+HCOO]- 285.09439 169.8
[M+CH3COO]- 299.11004 190.5
[M+Na-2H]- 261.07086 154.9
[M]+ 240.09564 146.3
[M]- 240.09674 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe