CID 81008694

1499764-95-2

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1CC(C1C2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C11H11FO2/c12-8-3-1-7(2-4-8)9-5-6-10(9)11(13)14/h1-4,9-10H,5-6H2,(H,13,14)
InChIKey
MABRDUWQBLUQEV-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.07431 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.08159 137.5
[M+Na]+ 217.06353 143.9
[M-H]- 193.06703 141.7
[M+NH4]+ 212.10813 149.9
[M+K]+ 233.03747 144.2
[M+H-H2O]+ 177.07157 125.7
[M+HCOO]- 239.07251 156.8
[M+CH3COO]- 253.08816 185.2
[M+Na-2H]- 215.04898 140.7
[M]+ 194.07376 143.3
[M]- 194.07486 143.3
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.