CID 83814974

1-(fluoromethyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1CC1(CF)C(=O)O
InChI
InChI=1S/C5H7FO2/c6-3-5(1-2-5)4(7)8/h1-3H2,(H,7,8)
InChIKey
CABMDYLYCCWFMX-UHFFFAOYSA-N
Compound name
1-(fluoromethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

118.04301 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 126.1
[M+Na]+ 141.03223 136.6
[M+NH4]+ 136.07683 135.2
[M+K]+ 157.00617 132.1
[M-H]- 117.03573 131.6
[M+Na-2H]- 139.01768 133.8
[M]+ 118.04246 130.1
[M]- 118.04356 130.1
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