CID 12180890

3-iodopyridine-2-carbonitrile

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

229.9341 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.94138 128.6
[M+Na]+ 252.92332 133.0
[M-H]- 228.92682 124.4
[M+NH4]+ 247.96792 142.9
[M+K]+ 268.89726 135.8
[M+H-H2O]+ 212.93136 113.2
[M+HCOO]- 274.93230 144.3
[M+CH3COO]- 288.94795 191.5
[M+Na-2H]- 250.90877 125.8
[M]+ 229.93355 121.3
[M]- 229.93465 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