CID 25307106

114821-24-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

82
Patents

229.9341 Da
Monoisotopic Mass

1.1
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

literature stripe

Patent stripe

patents stripe