CID 117610417

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

Structural Information

Molecular Formula
C6H5BrF2N2
SMILES
C1=C(C(=CN=C1N)Br)C(F)F
InChI
InChI=1S/C6H5BrF2N2/c7-4-2-11-5(10)1-3(4)6(8)9/h1-2,6H,(H2,10,11)
InChIKey
NBCWAKGCURZVDC-UHFFFAOYSA-N
Compound name
5-bromo-4-(difluoromethyl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

87
Patents

221.96042 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.96770 136.5
[M+Na]+ 244.94964 148.9
[M-H]- 220.95314 139.1
[M+NH4]+ 239.99424 156.8
[M+K]+ 260.92358 137.3
[M+H-H2O]+ 204.95768 134.2
[M+HCOO]- 266.95862 155.5
[M+CH3COO]- 280.97427 187.8
[M+Na-2H]- 242.93509 142.6
[M]+ 221.95987 150.6
[M]- 221.96097 150.6
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