CID 165735479

2021680-73-7

Structural Information

Molecular Formula
C11H16F2O3
SMILES
C1CC(OC2(C1)CCC(CC2)(F)F)C(=O)O
InChI
InChI=1S/C11H16F2O3/c12-11(13)6-4-10(5-7-11)3-1-2-8(16-10)9(14)15/h8H,1-7H2,(H,14,15)
InChIKey
QSSBMTNPFGUXKM-UHFFFAOYSA-N
Compound name
9,9-difluoro-1-oxaspiro[5.5]undecane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.10675 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.11403 150.5
[M+Na]+ 257.09597 155.6
[M-H]- 233.09947 152.0
[M+NH4]+ 252.14057 170.1
[M+K]+ 273.06991 154.7
[M+H-H2O]+ 217.10401 143.8
[M+HCOO]- 279.10495 162.4
[M+CH3COO]- 293.12060 185.0
[M+Na-2H]- 255.08142 154.4
[M]+ 234.10620 141.4
[M]- 234.10730 141.4
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.