CID 47002839

3-(4-fluorophenyl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C11H11FO2
SMILES
C1C(CC1C(=O)O)C2=CC=C(C=C2)F
InChI
InChI=1S/C11H11FO2/c12-10-3-1-7(2-4-10)8-5-9(6-8)11(13)14/h1-4,8-9H,5-6H2,(H,13,14)
InChIKey
FEVYXDFIUWVWRC-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)cyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

194.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.081586 137.5
[M+Na]+ 217.063528 143.9
[M-H]- 193.067034 141.7
[M+NH4]+ 212.108133 149.9
[M+K]+ 233.037468 144.2
[M+H-H2O]+ 177.071570 125.7
[M+HCOO]- 239.072511 156.8
[M+CH3COO]- 253.088161 185.2
[M+Na-2H]- 215.048976 140.7
[M]+ 194.07376142 143.3
[M]- 194.07485858 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

patents stripe