CID 118806481

3-bromo-5-(trifluoromethyl)pyridin-4-amine

Structural Information

Molecular Formula
C6H4BrF3N2
SMILES
C1=C(C(=C(C=N1)Br)N)C(F)(F)F
InChI
InChI=1S/C6H4BrF3N2/c7-4-2-12-1-3(5(4)11)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
JXVAWFHSQWZYKG-UHFFFAOYSA-N
Compound name
3-bromo-5-(trifluoromethyl)pyridin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.951 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.958276 141.3
[M+Na]+ 262.940218 154.5
[M-H]- 238.943724 142.8
[M+NH4]+ 257.984823 161.1
[M+K]+ 278.914158 142.4
[M+H-H2O]+ 222.948260 138.6
[M+HCOO]- 284.949201 158.8
[M+CH3COO]- 298.964851 189.3
[M+Na-2H]- 260.925666 148.3
[M]+ 239.95045142 154.2
[M]- 239.95154858 154.2
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.