CID 58625584

864069-04-5

Structural Information

Molecular Formula
C15H7F5O2
SMILES
C=CC1=CC=C(C=C1)C(=O)OC2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C15H7F5O2/c1-2-7-3-5-8(6-4-7)15(21)22-14-12(19)10(17)9(16)11(18)13(14)20/h2-6H,1H2
InChIKey
QLSHRSPPXSAGTR-UHFFFAOYSA-N
Compound name
(2,3,4,5,6-pentafluorophenyl) 4-ethenylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

314.03662 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.04390 177.6
[M+Na]+ 337.02584 186.5
[M+NH4]+ 332.07044 180.6
[M+K]+ 352.99978 180.2
[M-H]- 313.02934 174.1
[M+Na-2H]- 335.01129 179.9
[M]+ 314.03607 177.5
[M]- 314.03717 177.5
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