CID 20490537

3-ethoxy-2,2-difluoro-3-oxopropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

168.02342 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.030696 127.9
[M+Na]+ 191.012638 135.7
[M-H]- 167.016144 124.6
[M+NH4]+ 186.057243 147.5
[M+K]+ 206.986578 136.0
[M+H-H2O]+ 151.020680 122.3
[M+HCOO]- 213.021621 146.3
[M+CH3COO]- 227.037271 174.4
[M+Na-2H]- 188.998086 132.3
[M]+ 168.02287142 127.0
[M]- 168.02396858 127.0
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