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

10
Patents

132.05865 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 122.7
[M+Na]+ 155.047868 131.3
[M-H]- 131.051374 124.9
[M+NH4]+ 150.092473 139.0
[M+K]+ 171.021808 129.4
[M+H-H2O]+ 115.055910 116.5
[M+HCOO]- 177.056851 143.2
[M+CH3COO]- 191.072501 174.1
[M+Na-2H]- 153.033316 127.2
[M]+ 132.05810142 123.2
[M]- 132.05919858 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