CID 10990462

2-chloro-3-iodo-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H2ClF3IN
SMILES
C1=C(C=NC(=C1I)Cl)C(F)(F)F
InChI
InChI=1S/C6H2ClF3IN/c7-5-4(11)1-3(2-12-5)6(8,9)10/h1-2H
InChIKey
ARJOLVRUWVHCRI-UHFFFAOYSA-N
Compound name
2-chloro-3-iodo-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

306.88727 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.89455 133.9
[M+Na]+ 329.87649 138.4
[M-H]- 305.87999 126.2
[M+NH4]+ 324.92109 148.3
[M+K]+ 345.85043 140.0
[M+H-H2O]+ 289.88453 123.1
[M+HCOO]- 351.88547 144.1
[M+CH3COO]- 365.90112 190.4
[M+Na-2H]- 327.86194 129.0
[M]+ 306.88672 129.6
[M]- 306.88782 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