CID 9800518

51632-33-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

132
Patents

196.08995 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 141.3
[M+Na]+ 219.079168 147.9
[M-H]- 195.082674 142.3
[M+NH4]+ 214.123773 159.9
[M+K]+ 235.053108 146.1
[M+H-H2O]+ 179.087210 135.0
[M+HCOO]- 241.088151 160.3
[M+CH3COO]- 255.103801 184.4
[M+Na-2H]- 217.064616 143.0
[M]+ 196.08940142 139.6
[M]- 196.09049858 139.6
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