CID 13935575

3,3-difluoro-4-methoxy-4-oxobutanoic acid

Structural Information

Molecular Formula
C5H6F2O4
SMILES
COC(=O)C(CC(=O)O)(F)F
InChI
InChI=1S/C5H6F2O4/c1-11-4(10)5(6,7)2-3(8)9/h2H2,1H3,(H,8,9)
InChIKey
ZTVIXFMGCKOHED-UHFFFAOYSA-N
Compound name
3,3-difluoro-4-methoxy-4-oxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

168.02342 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03070 134.2
[M+Na]+ 191.01264 140.6
[M+NH4]+ 186.05724 138.2
[M+K]+ 206.98658 138.9
[M-H]- 167.01614 127.6
[M+Na-2H]- 188.99809 134.4
[M]+ 168.02287 132.6
[M]- 168.02397 132.6
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