CID 84724918

(5-bromo-2-chloropyridin-4-yl)methanamine

Structural Information

Molecular Formula
C6H6BrClN2
SMILES
C1=C(C(=CN=C1Cl)Br)CN
InChI
InChI=1S/C6H6BrClN2/c7-5-3-10-6(8)1-4(5)2-9/h1,3H,2,9H2
InChIKey
JIMDGKPZRGBDQX-UHFFFAOYSA-N
Compound name
(5-bromo-2-chloropyridin-4-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.94029 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.94757 136.4
[M+Na]+ 242.92951 141.1
[M+NH4]+ 237.97411 141.9
[M+K]+ 258.90345 140.2
[M-H]- 218.93301 137.5
[M+Na-2H]- 240.91496 140.8
[M]+ 219.93974 136.5
[M]- 219.94084 136.5
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

No patent data available for this compound.