CID 155820025

4-(2,2-difluoropropoxy)cyclohexan-1-one

Structural Information

Molecular Formula
C9H14F2O2
SMILES
CC(COC1CCC(=O)CC1)(F)F
InChI
InChI=1S/C9H14F2O2/c1-9(10,11)6-13-8-4-2-7(12)3-5-8/h8H,2-6H2,1H3
InChIKey
GVDNHTLWBUPRMO-UHFFFAOYSA-N
Compound name
4-(2,2-difluoropropoxy)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.09619 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10347 139.5
[M+Na]+ 215.08541 145.5
[M-H]- 191.08891 139.8
[M+NH4]+ 210.13001 158.9
[M+K]+ 231.05935 144.2
[M+H-H2O]+ 175.09345 132.6
[M+HCOO]- 237.09439 156.6
[M+CH3COO]- 251.11004 182.5
[M+Na-2H]- 213.07086 143.6
[M]+ 192.09564 134.8
[M]- 192.09674 134.8
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

No patent data available for this compound.