CID 124364389

5,5-difluoro-3,3-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H12F2O2
SMILES
CC(C)(CC(F)F)CC(=O)O
InChI
InChI=1S/C7H12F2O2/c1-7(2,3-5(8)9)4-6(10)11/h5H,3-4H2,1-2H3,(H,10,11)
InChIKey
XPBUMYPXCRUPEH-UHFFFAOYSA-N
Compound name
5,5-difluoro-3,3-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.08054 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.08782 133.3
[M+Na]+ 189.06976 140.0
[M-H]- 165.07326 129.6
[M+NH4]+ 184.11436 153.2
[M+K]+ 205.04370 139.4
[M+H-H2O]+ 149.07780 127.7
[M+HCOO]- 211.07874 150.3
[M+CH3COO]- 225.09439 178.0
[M+Na-2H]- 187.05521 136.4
[M]+ 166.07999 131.0
[M]- 166.08109 131.0
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.