CID 83814974

1273565-75-5

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

79
Patents

118.04301 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 119.7
[M+Na]+ 141.032228 129.6
[M-H]- 117.035734 122.3
[M+NH4]+ 136.076833 138.5
[M+K]+ 157.006168 128.5
[M+H-H2O]+ 101.040270 114.9
[M+HCOO]- 163.041211 141.0
[M+CH3COO]- 177.056861 170.0
[M+Na-2H]- 139.017676 126.8
[M]+ 118.04246142 120.8
[M]- 118.04355858 120.8
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