CID 23293615

3-(4-fluorophenyl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)(CC(=O)O)C1=CC=C(C=C1)F
InChI
InChI=1S/C11H13FO2/c1-11(2,7-10(13)14)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
HDBUHVALFKKGSF-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

196.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 143.6
[M+Na]+ 219.07917 154.4
[M+NH4]+ 214.12377 150.5
[M+K]+ 235.05311 149.4
[M-H]- 195.08267 142.8
[M+Na-2H]- 217.06462 148.7
[M]+ 196.08940 144.8
[M]- 196.09050 144.8
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