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

103
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 161.9
[M+Na]+ 337.02584 174.2
[M-H]- 313.02934 163.5
[M+NH4]+ 332.07044 177.1
[M+K]+ 352.99978 168.4
[M+H-H2O]+ 297.03388 150.5
[M+HCOO]- 359.03482 180.2
[M+CH3COO]- 373.05047 208.5
[M+Na-2H]- 335.01129 160.9
[M]+ 314.03607 158.7
[M]- 314.03717 158.7
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