CID 137935492

7,7-difluorospiro[3.5]nonan-2-one

Structural Information

Molecular Formula
C9H12F2O
SMILES
C1CC(CCC12CC(=O)C2)(F)F
InChI
InChI=1S/C9H12F2O/c10-9(11)3-1-8(2-4-9)5-7(12)6-8/h1-6H2
InChIKey
YYZAVNOXOJCNCO-UHFFFAOYSA-N
Compound name
7,7-difluorospiro[3.5]nonan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

174.08562 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09290 132.9
[M+Na]+ 197.07484 139.7
[M-H]- 173.07834 136.2
[M+NH4]+ 192.11944 151.0
[M+K]+ 213.04878 140.4
[M+H-H2O]+ 157.08288 123.1
[M+HCOO]- 219.08382 149.9
[M+CH3COO]- 233.09947 181.5
[M+Na-2H]- 195.06029 138.7
[M]+ 174.08507 134.7
[M]- 174.08617 134.7
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