CID 130088953

5-bromo-6-(trifluoromethoxy)pyridin-2-amine

Structural Information

Molecular Formula
C6H4BrF3N2O
SMILES
C1=CC(=NC(=C1Br)OC(F)(F)F)N
InChI
InChI=1S/C6H4BrF3N2O/c7-3-1-2-4(11)12-5(3)13-6(8,9)10/h1-2H,(H2,11,12)
InChIKey
IUBVIIHJCPSWEI-UHFFFAOYSA-N
Compound name
5-bromo-6-(trifluoromethoxy)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.9459 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.953176 143.9
[M+Na]+ 278.935118 157.0
[M-H]- 254.938624 145.4
[M+NH4]+ 273.979723 163.0
[M+K]+ 294.909058 145.3
[M+H-H2O]+ 238.943160 141.0
[M+HCOO]- 300.944101 161.6
[M+CH3COO]- 314.959751 191.3
[M+Na-2H]- 276.920566 150.9
[M]+ 255.94535142 158.1
[M]- 255.94644858 158.1
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

patents stripe