CID 45933728

2,4,6-trifluorostyrene

Structural Information

Molecular Formula
C8H5F3
SMILES
C=CC1=C(C=C(C=C1F)F)F
InChI
InChI=1S/C8H5F3/c1-2-6-7(10)3-5(9)4-8(6)11/h2-4H,1H2
InChIKey
FZQWFNVNWSYDKX-UHFFFAOYSA-N
Compound name
2-ethenyl-1,3,5-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

158.03433 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04161 135.2
[M+Na]+ 181.02355 146.7
[M+NH4]+ 176.06815 142.1
[M+K]+ 196.99749 139.7
[M-H]- 157.02705 133.7
[M+Na-2H]- 179.00900 140.3
[M]+ 158.03378 136.2
[M]- 158.03488 136.2
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