CID 83092

Heptafluoroisopropyl acrylate

Structural Information

Molecular Formula
C6H3F7O2
SMILES
C=CC(=O)OC(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C6H3F7O2/c1-2-3(14)15-4(7,5(8,9)10)6(11,12)13/h2H,1H2
InChIKey
JTCVKNUSIGHJRG-UHFFFAOYSA-N
Compound name
1,1,1,2,3,3,3-heptafluoropropan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

714
Patents

240.00212 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.00940 139.0
[M+Na]+ 262.99134 148.3
[M-H]- 238.99484 131.0
[M+NH4]+ 258.03594 156.3
[M+K]+ 278.96528 146.7
[M+H-H2O]+ 222.99938 129.9
[M+HCOO]- 285.00032 150.6
[M+CH3COO]- 299.01597 189.4
[M+Na-2H]- 260.97679 143.3
[M]+ 240.00157 129.9
[M]- 240.00267 129.9
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