CID 165605000

5-(trifluoromethyl)spiro[2.3]hexane-5-carboxylic acid

Structural Information

Molecular Formula
C8H9F3O2
SMILES
C1CC12CC(C2)(C(=O)O)C(F)(F)F
InChI
InChI=1S/C8H9F3O2/c9-8(10,11)7(5(12)13)3-6(4-7)1-2-6/h1-4H2,(H,12,13)
InChIKey
LGDXJQNHGZILAQ-UHFFFAOYSA-N
Compound name
5-(trifluoromethyl)spiro[2.3]hexane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.05547 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.06275 136.7
[M+Na]+ 217.04469 145.3
[M-H]- 193.04819 138.9
[M+NH4]+ 212.08929 148.6
[M+K]+ 233.01863 146.4
[M+H-H2O]+ 177.05273 127.5
[M+HCOO]- 239.05367 151.4
[M+CH3COO]- 253.06932 185.2
[M+Na-2H]- 215.03014 143.0
[M]+ 194.05492 142.7
[M]- 194.05602 142.7
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.