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

6
Patents

196.05472 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.061996 137.4
[M+Na]+ 219.043938 144.4
[M-H]- 195.047444 133.7
[M+NH4]+ 214.088543 155.9
[M+K]+ 235.017878 144.2
[M+H-H2O]+ 179.051980 131.5
[M+HCOO]- 241.052921 155.2
[M+CH3COO]- 255.068571 180.4
[M+Na-2H]- 217.029386 140.7
[M]+ 196.05417142 137.3
[M]- 196.05526858 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

patents stripe