CID 132398596

2167187-51-9

Structural Information

Molecular Formula
C8H10F2O3
SMILES
CC1(CCOC12CC2(F)F)C(=O)O
InChI
InChI=1S/C8H10F2O3/c1-6(5(11)12)2-3-13-7(6)4-8(7,9)10/h2-4H2,1H3,(H,11,12)
InChIKey
PTAZIOFIOQWQFE-UHFFFAOYSA-N
Compound name
2,2-difluoro-7-methyl-4-oxaspiro[2.4]heptane-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

192.0598 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06708 132.4
[M+Na]+ 215.04902 143.4
[M-H]- 191.05252 136.6
[M+NH4]+ 210.09362 152.8
[M+K]+ 231.02296 143.7
[M+H-H2O]+ 175.05706 129.1
[M+HCOO]- 237.05800 149.1
[M+CH3COO]- 251.07365 180.8
[M+Na-2H]- 213.03447 139.4
[M]+ 192.05925 133.4
[M]- 192.06035 133.4
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.