CID 42553112

4-bromo-2-chloro-3-iodopyridine

Structural Information

Molecular Formula
C5H2BrClIN
SMILES
C1=CN=C(C(=C1Br)I)Cl
InChI
InChI=1S/C5H2BrClIN/c6-3-1-2-9-5(7)4(3)8/h1-2H
InChIKey
ALKCOVKKTNNOGX-UHFFFAOYSA-N
Compound name
4-bromo-2-chloro-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

316.8104 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.81768 132.2
[M+Na]+ 339.79962 140.0
[M-H]- 315.80312 131.2
[M+NH4]+ 334.84422 150.0
[M+K]+ 355.77356 133.8
[M+H-H2O]+ 299.80766 129.8
[M+HCOO]- 361.80860 145.3
[M+CH3COO]- 375.82425 189.8
[M+Na-2H]- 337.78507 130.6
[M]+ 316.80985 149.0
[M]- 316.81095 149.0
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