CID 23530563

2-[3-fluoro-4-(propan-2-yl)phenyl]acetic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

196.08995 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09723 143.4
[M+Na]+ 219.07917 154.6
[M+NH4]+ 214.12377 150.4
[M+K]+ 235.05311 149.3
[M-H]- 195.08267 143.0
[M+Na-2H]- 217.06462 148.0
[M]+ 196.08940 144.7
[M]- 196.09050 144.7
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