CID 15880049

Phenyl trifluorovinyl ether

Structural Information

Molecular Formula
C8H5F3O
SMILES
C1=CC=C(C=C1)OC(=C(F)F)F
InChI
InChI=1S/C8H5F3O/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5H
InChIKey
HVUFSELLSNXJCA-UHFFFAOYSA-N
Compound name
1,2,2-trifluoroethenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

174.02925 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.03653 129.9
[M+Na]+ 197.01847 137.7
[M-H]- 173.02197 129.6
[M+NH4]+ 192.06307 149.8
[M+K]+ 212.99241 135.6
[M+H-H2O]+ 157.02651 121.7
[M+HCOO]- 219.02745 150.0
[M+CH3COO]- 233.04310 178.8
[M+Na-2H]- 195.00392 134.4
[M]+ 174.02870 125.3
[M]- 174.02980 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe