CID 630342

4-aminononafluorobiphenyl

Structural Information

Molecular Formula
C12H2F9N
SMILES
C1(=C(C(=C(C(=C1F)F)N)F)F)C2=C(C(=C(C(=C2F)F)F)F)F
InChI
InChI=1S/C12H2F9N/c13-3-1(4(14)8(18)9(19)7(3)17)2-5(15)10(20)12(22)11(21)6(2)16/h22H2
InChIKey
DVKUPHGYOMHVDR-UHFFFAOYSA-N
Compound name
2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

331.00436 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.01164 163.0
[M+Na]+ 353.99358 179.2
[M-H]- 329.99708 160.5
[M+NH4]+ 349.03818 177.8
[M+K]+ 369.96752 171.5
[M+H-H2O]+ 314.00162 149.2
[M+HCOO]- 376.00256 178.0
[M+CH3COO]- 390.01821 217.6
[M+Na-2H]- 351.97903 158.4
[M]+ 331.00381 152.8
[M]- 331.00491 152.8
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