CID 81865

2,2,3,3-tetrafluoropropyl acrylate

Structural Information

Molecular Formula
C6H6F4O2
SMILES
C=CC(=O)OCC(C(F)F)(F)F
InChI
InChI=1S/C6H6F4O2/c1-2-4(11)12-3-6(9,10)5(7)8/h2,5H,1,3H2
InChIKey
VHJHZYSXJKREEE-UHFFFAOYSA-N
Compound name
2,2,3,3-tetrafluoropropyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3080
Patents

186.0304 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03768 131.6
[M+Na]+ 209.01962 139.6
[M-H]- 185.02312 126.8
[M+NH4]+ 204.06422 151.1
[M+K]+ 224.99356 138.7
[M+H-H2O]+ 169.02766 124.0
[M+HCOO]- 231.02860 148.5
[M+CH3COO]- 245.04425 181.8
[M+Na-2H]- 207.00507 134.7
[M]+ 186.02985 127.4
[M]- 186.03095 127.4
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