CID 2737201

Ethyl 2-fluoro-2-iodoacetate

Structural Information

Molecular Formula
C4H6FIO2
SMILES
CCOC(=O)C(F)I
InChI
InChI=1S/C4H6FIO2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3
InChIKey
HEEACDPQRCJXKT-UHFFFAOYSA-N
Compound name
ethyl 2-fluoro-2-iodoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

24
Patents

231.93967 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.94695 131.6
[M+Na]+ 254.92889 132.3
[M-H]- 230.93239 124.4
[M+NH4]+ 249.97349 148.8
[M+K]+ 270.90283 138.8
[M+H-H2O]+ 214.93693 122.9
[M+HCOO]- 276.93787 148.5
[M+CH3COO]- 290.95352 179.9
[M+Na-2H]- 252.91434 124.0
[M]+ 231.93912 129.4
[M]- 231.94022 129.4
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