CID 179000834

3048762-51-9

Structural Information

Molecular Formula
C8H12F2O2
SMILES
CC1(CC(CC1C(=O)O)(F)F)C
InChI
InChI=1S/C8H12F2O2/c1-7(2)4-8(9,10)3-5(7)6(11)12/h5H,3-4H2,1-2H3,(H,11,12)
InChIKey
IDIYFJOLRSWLAL-UHFFFAOYSA-N
Compound name
4,4-difluoro-2,2-dimethylcyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.087816 132.0
[M+Na]+ 201.069758 141.1
[M-H]- 177.073264 132.3
[M+NH4]+ 196.114363 157.4
[M+K]+ 217.043698 139.4
[M+H-H2O]+ 161.077800 128.0
[M+HCOO]- 223.078741 150.7
[M+CH3COO]- 237.094391 177.6
[M+Na-2H]- 199.055206 135.1
[M]+ 178.07999142 128.1
[M]- 178.08108858 128.1
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.