CID 10016

2-fluoroethyl acetate

Structural Information

Molecular Formula
C4H7FO2
SMILES
CC(=O)OCCF
InChI
InChI=1S/C4H7FO2/c1-4(6)7-3-2-5/h2-3H2,1H3
InChIKey
PVDYNYCZGYOXAF-UHFFFAOYSA-N
Compound name
2-fluoroethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

500
Patents

106.04301 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.05029 116.6
[M+Na]+ 129.03223 124.9
[M-H]- 105.03573 116.0
[M+NH4]+ 124.07683 139.8
[M+K]+ 145.00617 125.7
[M+H-H2O]+ 89.040270 111.7
[M+HCOO]- 151.04121 139.8
[M+CH3COO]- 165.05686 167.1
[M+Na-2H]- 127.01768 123.1
[M]+ 106.04246 117.5
[M]- 106.04356 117.5
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