CID 70818513

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

Structural Information

Molecular Formula
C9H8FIN2
SMILES
CC(C)(C#N)C1=NC=CC(=C1F)I
InChI
InChI=1S/C9H8FIN2/c1-9(2,5-12)8-7(10)6(11)3-4-13-8/h3-4H,1-2H3
InChIKey
RRPNRVURZJQEBU-UHFFFAOYSA-N
Compound name
2-(3-fluoro-4-iodo-2-pyridinyl)-2-methylpropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

289.97162 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97890 144.7
[M+Na]+ 312.96084 148.9
[M-H]- 288.96434 139.5
[M+NH4]+ 308.00544 157.2
[M+K]+ 328.93478 151.4
[M+H-H2O]+ 272.96888 128.6
[M+HCOO]- 334.96982 157.3
[M+CH3COO]- 348.98547 202.7
[M+Na-2H]- 310.94629 139.7
[M]+ 289.97107 137.1
[M]- 289.97217 137.1
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