CID 165601840

2731009-77-9

Structural Information

Molecular Formula
C8H8F2O3
SMILES
C1C(C2(C1=O)CC(C2)(F)F)C(=O)O
InChI
InChI=1S/C8H8F2O3/c9-8(10)2-7(3-8)4(6(12)13)1-5(7)11/h4H,1-3H2,(H,12,13)
InChIKey
NQWVNUCULQCCIE-UHFFFAOYSA-N
Compound name
6,6-difluoro-3-oxospiro[3.3]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.04414 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.05142 134.2
[M+Na]+ 213.03336 140.5
[M-H]- 189.03686 136.9
[M+NH4]+ 208.07796 143.8
[M+K]+ 229.00730 144.0
[M+H-H2O]+ 173.04140 122.1
[M+HCOO]- 235.04234 149.3
[M+CH3COO]- 249.05799 191.9
[M+Na-2H]- 211.01881 137.9
[M]+ 190.04359 147.2
[M]- 190.04469 147.2
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.