CID 155820279

2567505-01-3

Structural Information

Molecular Formula
C11H14F2O3
SMILES
COC(=O)C1CC2CC(CC(C1)C2=O)(F)F
InChI
InChI=1S/C11H14F2O3/c1-16-10(15)6-2-7-4-11(12,13)5-8(3-6)9(7)14/h6-8H,2-5H2,1H3
InChIKey
AVDMECRFENQRCC-UHFFFAOYSA-N
Compound name
methyl 7,7-difluoro-9-oxobicyclo[3.3.1]nonane-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09838 147.3
[M+Na]+ 255.08032 154.6
[M-H]- 231.08382 147.2
[M+NH4]+ 250.12492 169.0
[M+K]+ 271.05426 152.5
[M+H-H2O]+ 215.08836 141.0
[M+HCOO]- 277.08930 161.3
[M+CH3COO]- 291.10495 191.0
[M+Na-2H]- 253.06577 150.5
[M]+ 232.09055 142.8
[M]- 232.09165 142.8
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.