CID 135396748

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

Structural Information

Molecular Formula
C9H11F3O2
SMILES
C1C(CC12CC(C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H11F3O2/c10-9(11,12)6-3-8(4-6)1-5(2-8)7(13)14/h5-6H,1-4H2,(H,13,14)
InChIKey
BXDXXJCIBNYERL-UHFFFAOYSA-N
Compound name
2-(trifluoromethyl)spiro[3.3]heptane-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.07112 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.07840 139.8
[M+Na]+ 231.06034 144.6
[M-H]- 207.06384 140.7
[M+NH4]+ 226.10494 146.9
[M+K]+ 247.03428 148.0
[M+H-H2O]+ 191.06838 125.5
[M+HCOO]- 253.06932 152.0
[M+CH3COO]- 267.08497 194.9
[M+Na-2H]- 229.04579 142.6
[M]+ 208.07057 150.1
[M]- 208.07167 150.1
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.