CID 10859785

2-chloro-4-iodo-6-(trifluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

253
Patents

306.88727 Da
Monoisotopic Mass

3.4
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

No literature data available for this compound.

Patent stripe

patents stripe