CID 67886

407-33-0

Structural Information

Molecular Formula
C4H4F2O3
SMILES
C(C(=O)OC(=O)CF)F
InChI
InChI=1S/C4H4F2O3/c5-1-3(7)9-4(8)2-6/h1-2H2
InChIKey
KLLYGDXCCNXESW-UHFFFAOYSA-N
Compound name
(2-fluoroacetyl) 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1847
Patents

138.01285 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.02013 120.7
[M+Na]+ 161.00207 129.0
[M-H]- 137.00557 118.7
[M+NH4]+ 156.04667 142.3
[M+K]+ 176.97601 129.7
[M+H-H2O]+ 121.01011 114.6
[M+HCOO]- 183.01105 142.2
[M+CH3COO]- 197.02670 171.1
[M+Na-2H]- 158.98752 125.3
[M]+ 138.01230 120.3
[M]- 138.01340 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe