CID 13350489

100701-50-6

Structural Information

Molecular Formula
C5H7FO4
SMILES
CC(C(=O)O)(C(=O)OC)F
InChI
InChI=1S/C5H7FO4/c1-5(6,3(7)8)4(9)10-2/h1-2H3,(H,7,8)
InChIKey
BQXMKAYOKMMUPC-UHFFFAOYSA-N
Compound name
2-fluoro-3-methoxy-2-methyl-3-oxopropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

150.03284 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04012 128.9
[M+Na]+ 173.02206 136.4
[M+NH4]+ 168.06666 134.0
[M+K]+ 188.99600 134.8
[M-H]- 149.02556 123.8
[M+Na-2H]- 171.00751 130.0
[M]+ 150.03229 128.0
[M]- 150.03339 128.0
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

patents stripe