CID 12508076

3,5,6-trifluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C8H2F10N2
SMILES
C1(=C(C(=NC(=C1F)F)N)F)C(C(F)(F)F)(C(F)(F)F)F
InChI
InChI=1S/C8H2F10N2/c9-2-1(3(10)5(19)20-4(2)11)6(12,7(13,14)15)8(16,17)18/h(H2,19,20)
InChIKey
BSFZRIIYIJMZCW-UHFFFAOYSA-N
Compound name
3,5,6-trifluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

316.00583 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.01311 158.3
[M+Na]+ 338.99505 170.7
[M-H]- 314.99855 149.2
[M+NH4]+ 334.03965 171.2
[M+K]+ 354.96899 165.5
[M+H-H2O]+ 299.00309 144.7
[M+HCOO]- 361.00403 166.4
[M+CH3COO]- 375.01968 208.7
[M+Na-2H]- 336.98050 159.5
[M]+ 316.00528 143.1
[M]- 316.00638 143.1
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.