CID 155820826

2490430-36-7

Structural Information

Molecular Formula
C10H12F2O3
SMILES
C1C(CC2CC(CC1C2=O)(F)F)C(=O)O
InChI
InChI=1S/C10H12F2O3/c11-10(12)3-6-1-5(9(14)15)2-7(4-10)8(6)13/h5-7H,1-4H2,(H,14,15)
InChIKey
HIYMUGVHGYAHKW-UHFFFAOYSA-N
Compound name
7,7-difluoro-9-oxobicyclo[3.3.1]nonane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.07545 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.08273 143.2
[M+Na]+ 241.06467 150.5
[M-H]- 217.06817 141.9
[M+NH4]+ 236.10927 164.7
[M+K]+ 257.03861 147.8
[M+H-H2O]+ 201.07271 137.5
[M+HCOO]- 263.07365 156.1
[M+CH3COO]- 277.08930 186.1
[M+Na-2H]- 239.05012 146.5
[M]+ 218.07490 136.7
[M]- 218.07600 136.7
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

No patent data available for this compound.