CID 105429198

4-fluoro-2,2-dimethylpentanoic acid

Structural Information

Molecular Formula
C7H13FO2
SMILES
CC(CC(C)(C)C(=O)O)F
InChI
InChI=1S/C7H13FO2/c1-5(8)4-7(2,3)6(9)10/h5H,4H2,1-3H3,(H,9,10)
InChIKey
DTIQAWZMVLWHPY-UHFFFAOYSA-N
Compound name
4-fluoro-2,2-dimethylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.08995 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09723 132.8
[M+Na]+ 171.07917 140.8
[M+NH4]+ 166.12377 139.0
[M+K]+ 187.05311 137.8
[M-H]- 147.08267 129.0
[M+Na-2H]- 169.06462 134.4
[M]+ 148.08940 132.5
[M]- 148.09050 132.5
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.