CID 59023031

2-fluoro-3-iodo-6-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2F4IN
SMILES
C1=CC(=NC(=C1I)F)C(F)(F)F
InChI
InChI=1S/C6H2F4IN/c7-5-3(11)1-2-4(12-5)6(8,9)10/h1-2H
InChIKey
YKFWFYZXEVQOLH-UHFFFAOYSA-N
Compound name
2-fluoro-3-iodo-6-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

290.9168 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.92408 133.2
[M+Na]+ 313.90602 137.1
[M-H]- 289.90952 124.4
[M+NH4]+ 308.95062 147.3
[M+K]+ 329.87996 140.0
[M+H-H2O]+ 273.91406 121.0
[M+HCOO]- 335.91500 146.6
[M+CH3COO]- 349.93065 189.5
[M+Na-2H]- 311.89147 127.9
[M]+ 290.91625 125.9
[M]- 290.91735 125.9
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