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

18
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 125.3
[M+Na]+ 173.02206 133.2
[M-H]- 149.02556 123.5
[M+NH4]+ 168.06666 145.8
[M+K]+ 188.99600 133.9
[M+H-H2O]+ 133.03010 120.8
[M+HCOO]- 195.03104 144.8
[M+CH3COO]- 209.04669 171.6
[M+Na-2H]- 171.00751 130.3
[M]+ 150.03229 125.7
[M]- 150.03339 125.7
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