CID 59273271

2225141-51-3

Structural Information

Molecular Formula
C7H10F2O4
SMILES
CCOC(=O)CCC(C(=O)O)(F)F
InChI
InChI=1S/C7H10F2O4/c1-2-13-5(10)3-4-7(8,9)6(11)12/h2-4H2,1H3,(H,11,12)
InChIKey
QNGVTOWPUYNRHU-UHFFFAOYSA-N
Compound name
5-ethoxy-2,2-difluoro-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.05472 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.06200 137.4
[M+Na]+ 219.04394 144.4
[M-H]- 195.04744 133.7
[M+NH4]+ 214.08854 155.9
[M+K]+ 235.01788 144.2
[M+H-H2O]+ 179.05198 131.5
[M+HCOO]- 241.05292 155.2
[M+CH3COO]- 255.06857 180.4
[M+Na-2H]- 217.02939 140.7
[M]+ 196.05417 137.3
[M]- 196.05527 137.3
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

No patent data available for this compound.