CID 538005

3,3-difluoroallyl acetate

Structural Information

Molecular Formula
C5H6F2O2
SMILES
CC(=O)OCC=C(F)F
InChI
InChI=1S/C5H6F2O2/c1-4(8)9-3-2-5(6)7/h2H,3H2,1H3
InChIKey
SFMCWVFEKGYGMH-UHFFFAOYSA-N
Compound name
3,3-difluoroprop-2-enyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

136.03358 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.04086 122.6
[M+Na]+ 159.02280 130.6
[M-H]- 135.02630 120.6
[M+NH4]+ 154.06740 144.4
[M+K]+ 174.99674 130.5
[M+H-H2O]+ 119.03084 116.6
[M+HCOO]- 181.03178 143.6
[M+CH3COO]- 195.04743 172.1
[M+Na-2H]- 157.00825 126.7
[M]+ 136.03303 121.1
[M]- 136.03413 121.1
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