CID 19768433

2,6-difluoro-3-iodopyridine

Structural Information

Molecular Formula
C5H2F2IN
SMILES
C1=CC(=NC(=C1I)F)F
InChI
InChI=1S/C5H2F2IN/c6-4-2-1-3(8)5(7)9-4/h1-2H
InChIKey
UTWLONSABCGCBR-UHFFFAOYSA-N
Compound name
2,6-difluoro-3-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

240.92 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.92728 122.9
[M+Na]+ 263.90922 126.5
[M-H]- 239.91272 116.5
[M+NH4]+ 258.95382 138.9
[M+K]+ 279.88316 130.3
[M+H-H2O]+ 223.91726 112.2
[M+HCOO]- 285.91820 140.2
[M+CH3COO]- 299.93385 181.6
[M+Na-2H]- 261.89467 118.7
[M]+ 240.91945 118.1
[M]- 240.92055 118.1
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