CID 2763163

4-chloro-3-iodopyridine

Structural Information

Molecular Formula
C5H3ClIN
SMILES
C1=CN=CC(=C1Cl)I
InChI
InChI=1S/C5H3ClIN/c6-4-1-2-8-3-5(4)7/h1-3H
InChIKey
GPFGRYFMMHDHGA-UHFFFAOYSA-N
Compound name
4-chloro-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

203
Patents

238.89987 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.907146 123.9
[M+Na]+ 261.889088 127.3
[M-H]- 237.892594 119.5
[M+NH4]+ 256.933693 140.6
[M+K]+ 277.863028 130.0
[M+H-H2O]+ 221.897130 115.3
[M+HCOO]- 283.898071 138.8
[M+CH3COO]- 297.913721 179.0
[M+Na-2H]- 259.874536 121.0
[M]+ 238.89932142 122.6
[M]- 238.90041858 122.6
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