CID 118703949

4-bromo-5-(trifluoromethyl)pyridin-2-amine

Structural Information

Molecular Formula
C6H4BrF3N2
SMILES
C1=C(C(=CN=C1N)C(F)(F)F)Br
InChI
InChI=1S/C6H4BrF3N2/c7-4-1-5(11)12-2-3(4)6(8,9)10/h1-2H,(H2,11,12)
InChIKey
KBRBWYOANHJCTI-UHFFFAOYSA-N
Compound name
4-bromo-5-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.951 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.95828 141.3
[M+Na]+ 262.94022 154.5
[M-H]- 238.94372 142.8
[M+NH4]+ 257.98482 161.1
[M+K]+ 278.91416 142.4
[M+H-H2O]+ 222.94826 138.6
[M+HCOO]- 284.94920 158.8
[M+CH3COO]- 298.96485 189.3
[M+Na-2H]- 260.92567 148.3
[M]+ 239.95045 154.2
[M]- 239.95155 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

patents stripe