CID 23436846

4-iodo-2-cyanopyridine

Structural Information

Molecular Formula
C6H3IN2
SMILES
C1=CN=C(C=C1I)C#N
InChI
InChI=1S/C6H3IN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
InChIKey
BGDBXTAJJAFSGO-UHFFFAOYSA-N
Compound name
4-iodopyridine-2-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

229.9341 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.941376 128.6
[M+Na]+ 252.923318 133.0
[M-H]- 228.926824 124.4
[M+NH4]+ 247.967923 142.9
[M+K]+ 268.897258 135.8
[M+H-H2O]+ 212.931360 113.2
[M+HCOO]- 274.932301 144.3
[M+CH3COO]- 288.947951 191.5
[M+Na-2H]- 250.908766 125.8
[M]+ 229.93355142 121.3
[M]- 229.93464858 121.3
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