CID 10464943

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

182.03792 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.04520 133.6
[M+Na]+ 205.02714 141.5
[M-H]- 181.03064 134.9
[M+NH4]+ 200.07174 152.7
[M+K]+ 221.00108 139.6
[M+H-H2O]+ 165.03518 127.4
[M+HCOO]- 227.03612 154.7
[M+CH3COO]- 241.05177 178.6
[M+Na-2H]- 203.01259 137.6
[M]+ 182.03737 132.5
[M]- 182.03847 132.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe