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 132.8
[M+Na]+ 266.93897 136.9
[M-H]- 242.94247 128.5
[M+NH4]+ 261.98357 146.7
[M+K]+ 282.91291 139.4
[M+H-H2O]+ 226.94701 117.2
[M+HCOO]- 288.94795 148.2
[M+CH3COO]- 302.96360 194.0
[M+Na-2H]- 264.92442 129.5
[M]+ 243.94920 125.8
[M]- 243.95030 125.8
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.