CID 81346947

3-cyclopropyl-2-fluoropropanoic acid

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1CC1CC(C(=O)O)F
InChI
InChI=1S/C6H9FO2/c7-5(6(8)9)3-4-1-2-4/h4-5H,1-3H2,(H,8,9)
InChIKey
QNEMHYRUIHKRJB-UHFFFAOYSA-N
Compound name
3-cyclopropyl-2-fluoropropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

132.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.06593 122.7
[M+Na]+ 155.04787 131.3
[M-H]- 131.05137 124.9
[M+NH4]+ 150.09247 139.0
[M+K]+ 171.02181 129.4
[M+H-H2O]+ 115.05591 116.5
[M+HCOO]- 177.05685 143.2
[M+CH3COO]- 191.07250 174.1
[M+Na-2H]- 153.03332 127.2
[M]+ 132.05810 123.2
[M]- 132.05920 123.2
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