CID 118999005

2-bromo-5-chloro-3-iodopyridine

Structural Information

Molecular Formula
C5H2BrClIN
SMILES
C1=C(C=NC(=C1I)Br)Cl
InChI
InChI=1S/C5H2BrClIN/c6-5-4(8)1-3(7)2-9-5/h1-2H
InChIKey
JTAAZYYDQXYDME-UHFFFAOYSA-N
Compound name
2-bromo-5-chloro-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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

No literature data available for this compound.

Patent stripe

patents stripe