CID 91926869

3,6-difluoro-2-iodopyridine

Structural Information

Molecular Formula
C5H2F2IN
SMILES
C1=CC(=NC(=C1F)I)F
InChI
InChI=1S/C5H2F2IN/c6-3-1-2-4(7)9-5(3)8/h1-2H
InChIKey
IRZACEVEENNQNA-UHFFFAOYSA-N
Compound name
3,6-difluoro-2-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.92 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.