CID 609492

4-iodopyridine

Structural Information

Molecular Formula
C5H4IN
SMILES
C1=CN=CC=C1I
InChI
InChI=1S/C5H4IN/c6-5-1-3-7-4-2-5/h1-4H
InChIKey
RTLUPHDWSUGAOS-UHFFFAOYSA-N
Compound name
4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3316
Patents

204.93884 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.946116 121.1
[M+Na]+ 227.928058 122.8
[M-H]- 203.931564 116.6
[M+NH4]+ 222.972663 138.0
[M+K]+ 243.901998 127.5
[M+H-H2O]+ 187.936100 111.7
[M+HCOO]- 249.937041 140.3
[M+CH3COO]- 263.952691 174.3
[M+Na-2H]- 225.913506 119.1
[M]+ 204.93829142 117.7
[M]- 204.93938858 117.7
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