CID 16769017

1-(4-fluorophenyl)cyclobutanecarboxylic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC(C1)(C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H11FO2/c12-9-4-2-8(3-5-9)11(10(13)14)6-1-7-11/h2-5H,1,6-7H2,(H,13,14)
InChIKey
DLRUUSGLTWPTQG-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

59
Patents

194.07431 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 143.5
[M+Na]+ 217.06353 150.4
[M+NH4]+ 212.10813 148.7
[M+K]+ 233.03747 144.7
[M-H]- 193.06703 142.1
[M+Na-2H]- 215.04898 148.6
[M]+ 194.07376 142.9
[M]- 194.07486 142.9
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