CID 21274053

1557370-29-2

Structural Information

Molecular Formula
C6H9FO2
SMILES
C1CCC(C1)(C(=O)O)F
InChI
InChI=1S/C6H9FO2/c7-6(5(8)9)3-1-2-4-6/h1-4H2,(H,8,9)
InChIKey
LWWXIFDDFXCLPS-UHFFFAOYSA-N
Compound name
1-fluorocyclopentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

132.05865 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.065926 125.0
[M+Na]+ 155.047868 132.0
[M-H]- 131.051374 125.9
[M+NH4]+ 150.092473 149.6
[M+K]+ 171.021808 131.2
[M+H-H2O]+ 115.055910 120.4
[M+HCOO]- 177.056851 145.4
[M+CH3COO]- 191.072501 166.7
[M+Na-2H]- 153.033316 129.4
[M]+ 132.05810142 120.4
[M]- 132.05919858 120.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe