CID 11220536

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

Structural Information

Molecular Formula
C6H2ClF3IN
SMILES
C1=CC(=NC(=C1C(F)(F)F)I)Cl
InChI
InChI=1S/C6H2ClF3IN/c7-4-2-1-3(5(11)12-4)6(8,9)10/h1-2H
InChIKey
DPAHBNHHPOZWCB-UHFFFAOYSA-N
Compound name
6-chloro-2-iodo-3-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

306.88727 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.894546 133.9
[M+Na]+ 329.876488 138.4
[M-H]- 305.879994 126.2
[M+NH4]+ 324.921093 148.3
[M+K]+ 345.850428 140.0
[M+H-H2O]+ 289.884530 123.1
[M+HCOO]- 351.885471 144.1
[M+CH3COO]- 365.901121 190.4
[M+Na-2H]- 327.861936 129.0
[M]+ 306.88672142 129.6
[M]- 306.88781858 129.6
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