CID 693282

2-amino-4-bromopyridine

Structural Information

Molecular Formula
C5H5BrN2
SMILES
C1=CN=C(C=C1Br)N
InChI
InChI=1S/C5H5BrN2/c6-4-1-2-8-5(7)3-4/h1-3H,(H2,7,8)
InChIKey
BAQKUNMKVAPWGU-UHFFFAOYSA-N
Compound name
4-bromopyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2824
Patents

171.96361 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.970886 124.0
[M+Na]+ 194.952828 136.2
[M-H]- 170.956334 129.0
[M+NH4]+ 189.997433 146.2
[M+K]+ 210.926768 125.4
[M+H-H2O]+ 154.960870 123.7
[M+HCOO]- 216.961811 146.4
[M+CH3COO]- 230.977461 178.0
[M+Na-2H]- 192.938276 133.9
[M]+ 171.96306142 140.3
[M]- 171.96415858 140.3
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