CID 167717982

Rac-(1r,2r)-4,4-difluoro-2-(methoxycarbonyl)spiro[2.2]pentane-1-carboxylic acid

Structural Information

Molecular Formula
C8H8F2O4
SMILES
COC(=O)[C@@H]1[C@H](C12CC2(F)F)C(=O)O
InChI
InChI=1S/C8H8F2O4/c1-14-6(13)4-3(5(11)12)7(4)2-8(7,9)10/h3-4H,2H2,1H3,(H,11,12)/t3-,4-,7?/m0/s1
InChIKey
PRYWGWCJDIBLRK-HMFOOQLRSA-N
Compound name
(1R,2R)-5,5-difluoro-2-methoxycarbonylspiro[2.2]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.03906 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.04634 134.8
[M+Na]+ 229.02828 143.3
[M+NH4]+ 224.07288 142.4
[M+K]+ 245.00222 142.0
[M-H]- 205.03178 144.0
[M+Na-2H]- 227.01373 143.6
[M]+ 206.03851 140.3
[M]- 206.03961 140.3
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.