CID 69556

2,3,4,5,6-pentafluorostyrene

Structural Information

Molecular Formula
C8H3F5
SMILES
C=CC1=C(C(=C(C(=C1F)F)F)F)F
InChI
InChI=1S/C8H3F5/c1-2-3-4(9)6(11)8(13)7(12)5(3)10/h2H,1H2
InChIKey
LVJZCPNIJXVIAT-UHFFFAOYSA-N
Compound name
1-ethenyl-2,3,4,5,6-pentafluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6451
Patents

194.01549 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02277 128.1
[M+Na]+ 217.00471 141.1
[M-H]- 193.00821 126.8
[M+NH4]+ 212.04931 148.6
[M+K]+ 232.97865 136.9
[M+H-H2O]+ 177.01275 119.3
[M+HCOO]- 239.01369 147.7
[M+CH3COO]- 253.02934 187.4
[M+Na-2H]- 214.99016 130.6
[M]+ 194.01494 122.8
[M]- 194.01604 122.8
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