CID 137935899

4,4-difluoro-2,2-dimethylcyclohexan-1-one

Structural Information

Molecular Formula
C8H12F2O
SMILES
CC1(CC(CCC1=O)(F)F)C
InChI
InChI=1S/C8H12F2O/c1-7(2)5-8(9,10)4-3-6(7)11/h3-5H2,1-2H3
InChIKey
MTBQOZWBYPNYIQ-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,2-dimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.08562 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 128.3
[M+Na]+ 185.07484 137.2
[M-H]- 161.07834 129.9
[M+NH4]+ 180.11944 153.4
[M+K]+ 201.04878 135.9
[M+H-H2O]+ 145.08288 123.4
[M+HCOO]- 207.08382 147.2
[M+CH3COO]- 221.09947 177.6
[M+Na-2H]- 183.06029 134.1
[M]+ 162.08507 123.4
[M]- 162.08617 123.4
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.