CID 22350209

3-(4-fluorophenyl)-2,2-dimethylpropanoic acid

Structural Information

Molecular Formula
C11H13FO2
SMILES
CC(C)(CC1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C11H13FO2/c1-11(2,10(13)14)7-8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3,(H,13,14)
InChIKey
UOEYQQNZSXPUOA-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2,2-dimethylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

196.08995 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.097226 140.8
[M+Na]+ 219.079168 148.4
[M-H]- 195.082674 142.0
[M+NH4]+ 214.123773 159.7
[M+K]+ 235.053108 146.0
[M+H-H2O]+ 179.087210 134.9
[M+HCOO]- 241.088151 160.3
[M+CH3COO]- 255.103801 182.9
[M+Na-2H]- 217.064616 145.7
[M]+ 196.08940142 139.9
[M]- 196.09049858 139.9
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