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

94
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 119.7
[M+Na]+ 141.03223 129.6
[M-H]- 117.03573 122.3
[M+NH4]+ 136.07683 138.5
[M+K]+ 157.00617 128.5
[M+H-H2O]+ 101.04027 114.9
[M+HCOO]- 163.04121 141.0
[M+CH3COO]- 177.05686 170.0
[M+Na-2H]- 139.01768 126.8
[M]+ 118.04246 120.8
[M]- 118.04356 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