CID 104455939

4-(difluoromethoxy)cyclohexan-1-one

Structural Information

Molecular Formula
C7H10F2O2
SMILES
C1CC(=O)CCC1OC(F)F
InChI
InChI=1S/C7H10F2O2/c8-7(9)11-6-3-1-5(10)2-4-6/h6-7H,1-4H2
InChIKey
GCEKOQCJNIGUSD-UHFFFAOYSA-N
Compound name
4-(difluoromethoxy)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

164.06488 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07216 130.6
[M+Na]+ 187.05410 136.7
[M-H]- 163.05760 131.0
[M+NH4]+ 182.09870 150.9
[M+K]+ 203.02804 136.0
[M+H-H2O]+ 147.06214 123.6
[M+HCOO]- 209.06308 148.9
[M+CH3COO]- 223.07873 177.0
[M+Na-2H]- 185.03955 133.8
[M]+ 164.06433 125.0
[M]- 164.06543 125.0
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