CID 13093954

3-fluoro-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C5H9FO2
SMILES
CC(C)(CF)C(=O)O
InChI
InChI=1S/C5H9FO2/c1-5(2,3-6)4(7)8/h3H2,1-2H3,(H,7,8)
InChIKey
CKRJGDYKYQUNIM-UHFFFAOYSA-N
Compound name
3-fluoro-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3704
Patents

120.058655 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.065931 121.5
[M+Na]+ 143.047873 129.3
[M-H]- 119.051379 119.6
[M+NH4]+ 138.092478 143.4
[M+K]+ 159.021813 129.2
[M+H-H2O]+ 103.055915 117.3
[M+HCOO]- 165.056856 141.3
[M+CH3COO]- 179.072506 168.3
[M+Na-2H]- 141.033321 127.6
[M]+ 120.05810642 120.4
[M]- 120.05920358 120.4
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

patents stripe