CID 65194237

1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C12H13FO2
SMILES
C1CC(C1)(CC2=CC(=CC=C2)F)C(=O)O
InChI
InChI=1S/C12H13FO2/c13-10-4-1-3-9(7-10)8-12(11(14)15)5-2-6-12/h1,3-4,7H,2,5-6,8H2,(H,14,15)
InChIKey
DQVFFAUQMVIMGZ-UHFFFAOYSA-N
Compound name
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.09723 148.0
[M+Na]+ 231.07917 154.7
[M+NH4]+ 226.12377 153.0
[M+K]+ 247.05311 148.8
[M-H]- 207.08267 146.6
[M+Na-2H]- 229.06462 152.8
[M]+ 208.08940 147.4
[M]- 208.09050 147.4
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

No patent data available for this compound.