CID 58155015

2,5-dibromo-4-iodopyridine

Structural Information

Molecular Formula
C5H2Br2IN
SMILES
C1=C(C(=CN=C1Br)Br)I
InChI
InChI=1S/C5H2Br2IN/c6-3-2-9-5(7)1-4(3)8/h1-2H
InChIKey
JHAWIJLEDSUTBA-UHFFFAOYSA-N
Compound name
2,5-dibromo-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

360.75986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.76714 132.1
[M+Na]+ 383.74908 138.9
[M-H]- 359.75258 132.9
[M+NH4]+ 378.79368 148.0
[M+K]+ 399.72302 129.1
[M+H-H2O]+ 343.75712 137.2
[M+HCOO]- 405.75806 144.9
[M+CH3COO]- 419.77371 203.3
[M+Na-2H]- 381.73453 132.0
[M]+ 360.75931 162.1
[M]- 360.76041 162.1
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