CID 9992

2-fluoroethyl 2-fluoroacetate

Structural Information

Molecular Formula
C4H6F2O2
SMILES
C(CF)OC(=O)CF
InChI
InChI=1S/C4H6F2O2/c5-1-2-8-4(7)3-6/h1-3H2
InChIKey
ZIJVALRYXQXDOL-UHFFFAOYSA-N
Compound name
2-fluoroethyl 2-fluoroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

124.033585 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04086 119.1
[M+Na]+ 147.02280 127.3
[M-H]- 123.02631 117.0
[M+NH4]+ 142.06741 141.4
[M+K]+ 162.99674 127.7
[M+H-H2O]+ 107.03084 113.1
[M+HCOO]- 169.03179 141.2
[M+CH3COO]- 183.04744 169.9
[M+Na-2H]- 145.00825 125.0
[M]+ 124.03304 118.7
[M]- 124.03413 118.7
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