CID 46737564

3-(3-fluoro-2-methylphenyl)propanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC1=C(C=CC=C1F)CCC(=O)O
InChI
InChI=1S/C10H11FO2/c1-7-8(5-6-10(12)13)3-2-4-9(7)11/h2-4H,5-6H2,1H3,(H,12,13)
InChIKey
ASZYDQYGUZNHFU-UHFFFAOYSA-N
Compound name
3-(3-fluoro-2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 138.7
[M+Na]+ 205.06353 150.5
[M+NH4]+ 200.10813 146.1
[M+K]+ 221.03747 144.6
[M-H]- 181.06703 138.7
[M+Na-2H]- 203.04898 144.0
[M]+ 182.07376 140.2
[M]- 182.07486 140.2
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