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

267
Patents

118.04301 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.05029 125.4
[M+Na]+ 141.03223 130.2
[M+NH4]+ 136.07683 130.2
[M+K]+ 157.00617 126.1
[M-H]- 117.03573 121.4
[M+Na-2H]- 139.01768 128.0
[M]+ 118.04246 123.5
[M]- 118.04356 123.5
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