CID 20525383

79456-34-1

Structural Information

Molecular Formula
C6H4BrF3N2
SMILES
C1=C(C=NC(=C1C(F)(F)F)N)Br
InChI
InChI=1S/C6H4BrF3N2/c7-3-1-4(6(8,9)10)5(11)12-2-3/h1-2H,(H2,11,12)
InChIKey
QUYZBNHTYCLZLW-UHFFFAOYSA-N
Compound name
5-bromo-3-(trifluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

399
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

literature stripe

Patent stripe

patents stripe