CID 28791587

Refchem:400830

Structural Information

Molecular Formula
C10H11FO2
SMILES
C[C@H](CC(=O)O)C1=CC=CC=C1F
InChI
InChI=1S/C10H11FO2/c1-7(6-10(12)13)8-4-2-3-5-9(8)11/h2-5,7H,6H2,1H3,(H,12,13)/t7-/m1/s1
InChIKey
FZHRPUPPBOTOHE-SSDOTTSWSA-N
Compound name
(3R)-3-(2-fluorophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

182.07431 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.081586 136.7
[M+Na]+ 205.063528 144.0
[M-H]- 181.067034 137.8
[M+NH4]+ 200.108133 156.0
[M+K]+ 221.037468 141.9
[M+H-H2O]+ 165.071570 130.5
[M+HCOO]- 227.072511 157.1
[M+CH3COO]- 241.088161 180.4
[M+Na-2H]- 203.048976 140.2
[M]+ 182.07376142 135.3
[M]- 182.07485858 135.3
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

No patent data available for this compound.