CID 13350493

2-fluoro-2-(methyl carboxy)butanoic acid

Structural Information

Molecular Formula
C6H9FO4
SMILES
CCC(C(=O)O)(C(=O)OC)F
InChI
InChI=1S/C6H9FO4/c1-3-6(7,4(8)9)5(10)11-2/h3H2,1-2H3,(H,8,9)
InChIKey
ZXVDURWNSWCPQQ-UHFFFAOYSA-N
Compound name
2-fluoro-2-methoxycarbonylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.0485 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.05578 130.1
[M+Na]+ 187.03772 137.5
[M-H]- 163.04122 128.1
[M+NH4]+ 182.08232 150.1
[M+K]+ 203.01166 138.0
[M+H-H2O]+ 147.04576 125.4
[M+HCOO]- 209.04670 149.3
[M+CH3COO]- 223.06235 174.7
[M+Na-2H]- 185.02317 134.6
[M]+ 164.04795 130.9
[M]- 164.04905 130.9
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.