CID 53439610

3-bromo-4-chloropyridin-2-amine

Structural Information

Molecular Formula
C5H4BrClN2
SMILES
C1=CN=C(C(=C1Cl)Br)N
InChI
InChI=1S/C5H4BrClN2/c6-4-3(7)1-2-9-5(4)8/h1-2H,(H2,8,9)
InChIKey
CNOIGNSHTUNNGC-UHFFFAOYSA-N
Compound name
3-bromo-4-chloropyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

205.92464 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.931916 128.8
[M+Na]+ 228.913858 142.9
[M-H]- 204.917364 133.9
[M+NH4]+ 223.958463 150.9
[M+K]+ 244.887798 130.0
[M+H-H2O]+ 188.921900 129.4
[M+HCOO]- 250.922841 146.8
[M+CH3COO]- 264.938491 182.7
[M+Na-2H]- 226.899306 137.7
[M]+ 205.92409142 147.2
[M]- 205.92518858 147.2
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

patents stripe