CID 87150

Einecs 241-528-3

Structural Information

Molecular Formula
C7H7F5O2
SMILES
C=CC(=O)OCCC(C(F)(F)F)(F)F
InChI
InChI=1S/C7H7F5O2/c1-2-5(13)14-4-3-6(8,9)7(10,11)12/h2H,1,3-4H2
InChIKey
AVVYSSRKCWEPBH-UHFFFAOYSA-N
Compound name
3,3,4,4,4-pentafluorobutyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

156
Patents

218.03662 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.04390 138.8
[M+Na]+ 241.02584 147.2
[M-H]- 217.02934 132.8
[M+NH4]+ 236.07044 157.2
[M+K]+ 256.99978 145.6
[M+H-H2O]+ 201.03388 130.7
[M+HCOO]- 263.03482 153.8
[M+CH3COO]- 277.05047 186.6
[M+Na-2H]- 239.01129 142.8
[M]+ 218.03607 133.7
[M]- 218.03717 133.7
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