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

literature stripe

Patent stripe

patents stripe