CID 262954

4,4'-dimethoxyoctafluorobiphenyl

Structural Information

Molecular Formula
C14H6F8O2
SMILES
COC1=C(C(=C(C(=C1F)F)C2=C(C(=C(C(=C2F)F)OC)F)F)F)F
InChI
InChI=1S/C14H6F8O2/c1-23-13-9(19)5(15)3(6(16)10(13)20)4-7(17)11(21)14(24-2)12(22)8(4)18/h1-2H3
InChIKey
TVUPJKALGKCABC-UHFFFAOYSA-N
Compound name
1,2,4,5-tetrafluoro-3-methoxy-6-(2,3,5,6-tetrafluoro-4-methoxyphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

358.02402 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.03130 169.1
[M+Na]+ 381.01324 184.9
[M-H]- 357.01674 168.1
[M+NH4]+ 376.05784 183.4
[M+K]+ 396.98718 179.0
[M+H-H2O]+ 341.02128 155.6
[M+HCOO]- 403.02222 184.6
[M+CH3COO]- 417.03787 220.4
[M+Na-2H]- 378.99869 165.0
[M]+ 358.02347 165.3
[M]- 358.02457 165.3
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