CID 21187532

1-fluorocyclobutanecarboxylic acid

Structural Information

Molecular Formula
C5H7FO2
SMILES
C1CC(C1)(C(=O)O)F
InChI
InChI=1S/C5H7FO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKey
HNIHOFVDKWEICB-UHFFFAOYSA-N
Compound name
1-fluorocyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

298
Patents

118.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.050286 120.8
[M+Na]+ 141.032228 127.2
[M-H]- 117.035734 122.2
[M+NH4]+ 136.076833 137.8
[M+K]+ 157.006168 129.6
[M+H-H2O]+ 101.040270 111.8
[M+HCOO]- 163.041211 140.3
[M+CH3COO]- 177.056861 169.4
[M+Na-2H]- 139.017676 126.8
[M]+ 118.04246142 126.2
[M]- 118.04355858 126.2
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