CID 15487791

3-(4-fluorophenyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C10H11FO2
SMILES
CC(CC1=CC=C(C=C1)F)C(=O)O
InChI
InChI=1S/C10H11FO2/c1-7(10(12)13)6-8-2-4-9(11)5-3-8/h2-5,7H,6H2,1H3,(H,12,13)
InChIKey
KPWBMCKJLTZFFT-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

197
Patents

182.07431 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.08159 139.0
[M+Na]+ 205.06353 150.1
[M+NH4]+ 200.10813 146.3
[M+K]+ 221.03747 144.8
[M-H]- 181.06703 138.7
[M+Na-2H]- 203.04898 144.1
[M]+ 182.07376 140.3
[M]- 182.07486 140.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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