CID 12180887

3-iodopyridine-4-carbonitrile

Structural Information

Molecular Formula
C6H3IN2
SMILES
C1=CN=CC(=C1C#N)I
InChI
InChI=1S/C6H3IN2/c7-6-4-9-2-1-5(6)3-8/h1-2,4H
InChIKey
KMFIQUYSWTUCGD-UHFFFAOYSA-N
Compound name
3-iodopyridine-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

229.9341 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94138 132.1
[M+Na]+ 252.92332 138.5
[M+NH4]+ 247.96792 134.0
[M+K]+ 268.89726 132.2
[M-H]- 228.92682 122.0
[M+Na-2H]- 250.90877 126.6
[M]+ 229.93355 128.5
[M]- 229.93465 128.5
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