CID 130671204

7,7-difluorospiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula
C10H14F2O2
SMILES
C1CC(CCC12CC(C2)C(=O)O)(F)F
InChI
InChI=1S/C10H14F2O2/c11-10(12)3-1-9(2-4-10)5-7(6-9)8(13)14/h7H,1-6H2,(H,13,14)
InChIKey
FVXSDPOUOFWADR-UHFFFAOYSA-N
Compound name
7,7-difluorospiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.09619 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10347 143.6
[M+Na]+ 227.08541 149.1
[M-H]- 203.08891 145.3
[M+NH4]+ 222.13001 159.6
[M+K]+ 243.05935 149.7
[M+H-H2O]+ 187.09345 133.7
[M+HCOO]- 249.09439 157.8
[M+CH3COO]- 263.11004 184.6
[M+Na-2H]- 225.07086 147.0
[M]+ 204.09564 144.7
[M]- 204.09674 144.7
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.