CID 45933728

2-ethenyl-1,3,5-trifluorobenzene

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

648
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 123.4
[M+Na]+ 181.02355 134.6
[M-H]- 157.02705 124.2
[M+NH4]+ 176.06815 145.1
[M+K]+ 196.99749 131.2
[M+H-H2O]+ 141.03159 116.2
[M+HCOO]- 203.03253 145.4
[M+CH3COO]- 217.04818 179.2
[M+Na-2H]- 179.00900 128.6
[M]+ 158.03378 119.9
[M]- 158.03488 119.9
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