CID 155821692

2445790-92-9

Structural Information

Molecular Formula
C8H10F2O3
SMILES
C1C(OCC12CC(C2)(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O3/c9-8(10)2-7(3-8)1-5(6(11)12)13-4-7/h5H,1-4H2,(H,11,12)
InChIKey
VYRCJKOLHFNCTF-UHFFFAOYSA-N
Compound name
2,2-difluoro-6-oxaspiro[3.4]octane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0598 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06708 133.8
[M+Na]+ 215.04902 140.5
[M-H]- 191.05252 136.7
[M+NH4]+ 210.09362 150.7
[M+K]+ 231.02296 142.6
[M+H-H2O]+ 175.05706 125.2
[M+HCOO]- 237.05800 150.0
[M+CH3COO]- 251.07365 180.5
[M+Na-2H]- 213.03447 138.5
[M]+ 192.05925 138.3
[M]- 192.06035 138.3
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.