CID 75176230

3-(difluoromethyl)-2-fluoro-4-iodopyridine

Structural Information

Molecular Formula
C6H3F3IN
SMILES
C1=CN=C(C(=C1I)C(F)F)F
InChI
InChI=1S/C6H3F3IN/c7-5(8)4-3(10)1-2-11-6(4)9/h1-2,5H
InChIKey
KNTAQLSEOAYHEG-UHFFFAOYSA-N
Compound name
3-(difluoromethyl)-2-fluoro-4-iodopyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.92624 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.93352 129.7
[M+Na]+ 295.91546 132.7
[M-H]- 271.91896 121.9
[M+NH4]+ 290.96006 144.3
[M+K]+ 311.88940 136.2
[M+H-H2O]+ 255.92350 117.9
[M+HCOO]- 317.92444 144.7
[M+CH3COO]- 331.94009 187.8
[M+Na-2H]- 293.90091 123.3
[M]+ 272.92569 123.5
[M]- 272.92679 123.5
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.