CID 88643664

1,2,3,4,5-pentafluoro-6-(pentafluoroethoxy)benzene

Structural Information

Molecular Formula
C8F10O
SMILES
C1(=C(C(=C(C(=C1F)F)F)F)F)OC(C(F)(F)F)(F)F
InChI
InChI=1S/C8F10O/c9-1-2(10)4(12)6(5(13)3(1)11)19-8(17,18)7(14,15)16
InChIKey
DXCBQWWXMZTQFK-UHFFFAOYSA-N
Compound name
1,2,3,4,5-pentafluoro-6-(1,1,2,2,2-pentafluoroethoxy)benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

301.97894 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.98622 150.7
[M+Na]+ 324.96816 164.3
[M-H]- 300.97166 143.4
[M+NH4]+ 320.01276 166.2
[M+K]+ 340.94210 159.8
[M+H-H2O]+ 284.97620 137.8
[M+HCOO]- 346.97714 161.4
[M+CH3COO]- 360.99279 205.4
[M+Na-2H]- 322.95361 151.2
[M]+ 301.97839 139.2
[M]- 301.97949 139.2
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