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

40
Patents

168.02342 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.03070 127.9
[M+Na]+ 191.01264 135.7
[M-H]- 167.01614 124.6
[M+NH4]+ 186.05724 147.5
[M+K]+ 206.98658 136.0
[M+H-H2O]+ 151.02068 122.3
[M+HCOO]- 213.02162 146.3
[M+CH3COO]- 227.03727 174.4
[M+Na-2H]- 188.99809 132.3
[M]+ 168.02287 127.0
[M]- 168.02397 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