CID 70582

4,4'-diaminooctafluorobiphenyl

Structural Information

Molecular Formula
C12H4F8N2
SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)N)F)F
InChI
InChI=1S/C12H4F8N2/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/h21-22H2
InChIKey
FWOLORXQTIGHFX-UHFFFAOYSA-N
Compound name
4-(4-amino-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluoroaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

3681
Patents

328.02466 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.03194 165.9
[M+Na]+ 351.01388 181.3
[M-H]- 327.01738 164.1
[M+NH4]+ 346.05848 180.3
[M+K]+ 366.98782 173.7
[M+H-H2O]+ 311.02192 152.6
[M+HCOO]- 373.02286 182.4
[M+CH3COO]- 387.03851 219.3
[M+Na-2H]- 348.99933 161.1
[M]+ 328.02411 155.4
[M]- 328.02521 155.4
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