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]+ 273.933516 129.7
[M+Na]+ 295.915458 132.7
[M-H]- 271.918964 121.9
[M+NH4]+ 290.960063 144.3
[M+K]+ 311.889398 136.2
[M+H-H2O]+ 255.923500 117.9
[M+HCOO]- 317.924441 144.7
[M+CH3COO]- 331.940091 187.8
[M+Na-2H]- 293.900906 123.3
[M]+ 272.92569142 123.5
[M]- 272.92678858 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.