CID 105427788

Lithium(1+) 2-fluoro-2-(oxetan-3-yl)acetate

Structural Information

Molecular Formula
C5H7FO3
SMILES
C1C(CO1)C(C(=O)O)F
InChI
InChI=1S/C5H7FO3/c6-4(5(7)8)3-1-9-2-3/h3-4H,1-2H2,(H,7,8)
InChIKey
AGPSJNYCERYWHF-UHFFFAOYSA-N
Compound name
2-fluoro-2-(oxetan-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.03792 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.045196 122.0
[M+Na]+ 157.027138 127.0
[M-H]- 133.030644 123.5
[M+NH4]+ 152.071743 134.9
[M+K]+ 173.001078 131.4
[M+H-H2O]+ 117.035180 111.3
[M+HCOO]- 179.036121 139.8
[M+CH3COO]- 193.051771 172.6
[M+Na-2H]- 155.012586 126.8
[M]+ 134.03737142 128.4
[M]- 134.03846858 128.4
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.