CID 137074

2,2-difluoroethyl acetate

Structural Information

Molecular Formula
C4H6F2O2
SMILES
CC(=O)OCC(F)F
InChI
InChI=1S/C4H6F2O2/c1-3(7)8-2-4(5)6/h4H,2H2,1H3
InChIKey
PFJLHSIZFYNAHH-UHFFFAOYSA-N
Compound name
2,2-difluoroethyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1638
Patents

124.033585 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.04086 119.3
[M+Na]+ 147.02280 127.4
[M-H]- 123.02631 117.4
[M+NH4]+ 142.06741 141.6
[M+K]+ 162.99674 128.1
[M+H-H2O]+ 107.03084 113.4
[M+HCOO]- 169.03179 140.4
[M+CH3COO]- 183.04744 170.7
[M+Na-2H]- 145.00825 123.9
[M]+ 124.03304 118.3
[M]- 124.03413 118.3
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