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

4217
Patents

120.058655 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 121.06593 121.5
[M+Na]+ 143.04787 129.3
[M-H]- 119.05138 119.6
[M+NH4]+ 138.09248 143.4
[M+K]+ 159.02181 129.2
[M+H-H2O]+ 103.05592 117.3
[M+HCOO]- 165.05686 141.3
[M+CH3COO]- 179.07251 168.3
[M+Na-2H]- 141.03332 127.6
[M]+ 120.05811 120.4
[M]- 120.05920 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