CID 16783163

3-(3-fluorophenyl)-2-oxopropanoic acid

Structural Information

Molecular Formula
C9H7FO3
SMILES
C1=CC(=CC(=C1)F)CC(=O)C(=O)O
InChI
InChI=1S/C9H7FO3/c10-7-3-1-2-6(4-7)5-8(11)9(12)13/h1-4H,5H2,(H,12,13)
InChIKey
GTMNJUMHHOHBIJ-UHFFFAOYSA-N
Compound name
3-(3-fluorophenyl)-2-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

182.03792 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 136.9
[M+Na]+ 205.02714 147.6
[M+NH4]+ 200.07174 143.4
[M+K]+ 221.00108 143.1
[M-H]- 181.03064 135.8
[M+Na-2H]- 203.01259 141.6
[M]+ 182.03737 137.7
[M]- 182.03847 137.7
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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