CID 84820284

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

306.88727 Da
Monoisotopic Mass

3.0
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

No literature data available for this compound.

Patent stripe

patents stripe