CID 155820064

6-hydroxy-6-(trifluoromethyl)spiro[3.3]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C9H11F3O3
SMILES
C1C(CC12CC(C2)(C(F)(F)F)O)C(=O)O
InChI
InChI=1S/C9H11F3O3/c10-9(11,12)8(15)3-7(4-8)1-5(2-7)6(13)14/h5,15H,1-4H2,(H,13,14)
InChIKey
YEGLRCAXGDJHGJ-UHFFFAOYSA-N
Compound name
2-hydroxy-2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.06602 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.07330 147.2
[M+Na]+ 247.05524 152.1
[M-H]- 223.05874 147.2
[M+NH4]+ 242.09984 154.8
[M+K]+ 263.02918 155.2
[M+H-H2O]+ 207.06328 134.4
[M+HCOO]- 269.06422 158.1
[M+CH3COO]- 283.07987 194.2
[M+Na-2H]- 245.04069 150.4
[M]+ 224.06547 157.5
[M]- 224.06657 157.5
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.