CID 23542451

3-bromo-2-iodopyridine

Structural Information

Molecular Formula
C5H3BrIN
SMILES
C1=CC(=C(N=C1)I)Br
InChI
InChI=1S/C5H3BrIN/c6-4-2-1-3-8-5(4)7/h1-3H
InChIKey
NYCGGAQICCWUCI-UHFFFAOYSA-N
Compound name
3-bromo-2-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

282
Patents

282.84937 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.85665 130.5
[M+Na]+ 305.83859 136.5
[M-H]- 281.84209 129.2
[M+NH4]+ 300.88319 148.3
[M+K]+ 321.81253 132.2
[M+H-H2O]+ 265.84663 127.3
[M+HCOO]- 327.84757 147.6
[M+CH3COO]- 341.86322 185.4
[M+Na-2H]- 303.82404 129.4
[M]+ 282.84882 145.2
[M]- 282.84992 145.2
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