CID 162341200

1-fluoro-2,2-dimethylcyclopropane-1-carboxylic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
CC1(CC1(C(=O)O)F)C
InChI
InChI=1S/C6H9FO2/c1-5(2)3-6(5,7)4(8)9/h3H2,1-2H3,(H,8,9)
InChIKey
CYODIRYDPAAPOL-UHFFFAOYSA-N
Compound name
1-fluoro-2,2-dimethylcyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

132.05865 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 122.5
[M+Na]+ 155.04787 133.5
[M-H]- 131.05137 125.7
[M+NH4]+ 150.09247 142.9
[M+K]+ 171.02181 133.0
[M+H-H2O]+ 115.05591 119.3
[M+HCOO]- 177.05685 143.0
[M+CH3COO]- 191.07250 173.8
[M+Na-2H]- 153.03332 129.7
[M]+ 132.05810 124.9
[M]- 132.05920 124.9
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.