CID 102368272

2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6HCl2F3IN
SMILES
C1=C(C(=NC(=C1Cl)Cl)I)C(F)(F)F
InChI
InChI=1S/C6HCl2F3IN/c7-3-1-2(6(9,10)11)5(12)13-4(3)8/h1H
InChIKey
CVBMTRJVFYWSCW-UHFFFAOYSA-N
Compound name
2,3-dichloro-6-iodo-5-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.8483 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.85558 135.7
[M+Na]+ 363.83752 141.4
[M-H]- 339.84102 127.9
[M+NH4]+ 358.88212 149.5
[M+K]+ 379.81146 141.6
[M+H-H2O]+ 323.84556 125.8
[M+HCOO]- 385.84650 141.3
[M+CH3COO]- 399.86215 195.8
[M+Na-2H]- 361.82297 130.0
[M]+ 340.84775 132.9
[M]- 340.84885 132.9
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

No patent data available for this compound.