CID 177798182

5-bromo-6-chloro-3-ethynylpyridin-2-amine

Structural Information

Molecular Formula
C7H4BrClN2
SMILES
C#CC1=CC(=C(N=C1N)Cl)Br
InChI
InChI=1S/C7H4BrClN2/c1-2-4-3-5(8)6(9)11-7(4)10/h1,3H,(H2,10,11)
InChIKey
TYHJGAZGLOLFSJ-UHFFFAOYSA-N
Compound name
5-bromo-6-chloro-3-ethynylpyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.92464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.931916 133.9
[M+Na]+ 252.913858 150.0
[M-H]- 228.917364 136.3
[M+NH4]+ 247.958463 152.8
[M+K]+ 268.887798 136.0
[M+H-H2O]+ 212.921900 128.2
[M+HCOO]- 274.922841 148.4
[M+CH3COO]- 288.938491 195.2
[M+Na-2H]- 250.899306 140.1
[M]+ 229.92409142 145.6
[M]- 229.92518858 145.6
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.