CID 15001673

3-(tridecafluorohexyl)pyridin-4-amine

Structural Information

Molecular Formula
C11H5F13N2
SMILES
C1=CN=CC(=C1N)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C11H5F13N2/c12-6(13,4-3-26-2-1-5(4)25)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h1-3H,(H2,25,26)
InChIKey
FYNRUUHZYNMDNP-UHFFFAOYSA-N
Compound name
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

412.0245 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.03178 180.7
[M+Na]+ 435.01372 190.3
[M-H]- 411.01722 168.2
[M+NH4]+ 430.05832 188.7
[M+K]+ 450.98766 185.1
[M+H-H2O]+ 395.02176 165.1
[M+HCOO]- 457.02270 180.3
[M+CH3COO]- 471.03835 224.8
[M+Na-2H]- 432.99917 183.9
[M]+ 412.02395 159.3
[M]- 412.02505 159.3
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

No patent data available for this compound.