CID 155858637

2-(3-chloro-4-iodopyridin-2-yl)-2-methylpropanenitrile

Structural Information

Molecular Formula
C9H8ClIN2
SMILES
CC(C)(C#N)C1=NC=CC(=C1Cl)I
InChI
InChI=1S/C9H8ClIN2/c1-9(2,5-12)8-7(10)6(11)3-4-13-8/h3-4H,1-2H3
InChIKey
HHALZGYZPJCKAF-UHFFFAOYSA-N
Compound name
2-(3-chloro-4-iodopyridin-2-yl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.94208 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.94936 148.7
[M+Na]+ 328.93130 153.9
[M-H]- 304.93480 144.7
[M+NH4]+ 323.97590 161.6
[M+K]+ 344.90524 154.7
[M+H-H2O]+ 288.93934 134.0
[M+HCOO]- 350.94028 158.3
[M+CH3COO]- 364.95593 203.6
[M+Na-2H]- 326.91675 143.8
[M]+ 305.94153 143.7
[M]- 305.94263 143.7
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.