CID 22002678

2,2-difluorocyclooctan-1-one

Structural Information

Molecular Formula
C8H12F2O
SMILES
C1CCCC(C(=O)CC1)(F)F
InChI
InChI=1S/C8H12F2O/c9-8(10)6-4-2-1-3-5-7(8)11/h1-6H2
InChIKey
WIXUKKIQNLZMJD-UHFFFAOYSA-N
Compound name
2,2-difluorocyclooctan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

162.08562 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.09290 148.4
[M+Na]+ 185.07484 153.2
[M-H]- 161.07834 149.0
[M+NH4]+ 180.11944 158.5
[M+K]+ 201.04878 153.6
[M+H-H2O]+ 145.08288 144.6
[M+HCOO]- 207.08382 156.6
[M+CH3COO]- 221.09947 219.3
[M+Na-2H]- 183.06029 148.4
[M]+ 162.08507 145.2
[M]- 162.08617 145.2
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.