CID 129965960

2-(3-iodopyridin-4-yl)acetonitrile

Structural Information

Molecular Formula
C7H5IN2
SMILES
C1=CN=CC(=C1CC#N)I
InChI
InChI=1S/C7H5IN2/c8-7-5-10-4-2-6(7)1-3-9/h2,4-5H,1H2
InChIKey
CGIWUSNKZVMZKJ-UHFFFAOYSA-N
Compound name
2-(3-iodopyridin-4-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.94975 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.95703 136.2
[M+Na]+ 266.93897 142.4
[M+NH4]+ 261.98357 137.9
[M+K]+ 282.91291 135.8
[M-H]- 242.94247 126.0
[M+Na-2H]- 264.92442 130.4
[M]+ 243.94920 132.5
[M]- 243.95030 132.5
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

No patent data available for this compound.