CID 13587852

2,3,5,6-tetrafluorophenyl acrylate

Structural Information

Molecular Formula
C9H4F4O2
SMILES
C=CC(=O)OC1=C(C(=CC(=C1F)F)F)F
InChI
InChI=1S/C9H4F4O2/c1-2-6(14)15-9-7(12)4(10)3-5(11)8(9)13/h2-3H,1H2
InChIKey
GXJPHSMOOJJMKN-UHFFFAOYSA-N
Compound name
(2,3,5,6-tetrafluorophenyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

220.01474 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.02202 135.9
[M+Na]+ 243.00396 147.6
[M-H]- 219.00746 135.5
[M+NH4]+ 238.04856 155.0
[M+K]+ 258.97790 144.4
[M+H-H2O]+ 203.01200 127.4
[M+HCOO]- 265.01294 156.0
[M+CH3COO]- 279.02859 189.6
[M+Na-2H]- 240.98941 137.9
[M]+ 220.01419 133.4
[M]- 220.01529 133.4
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