CID 87368451

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

Structural Information

Molecular Formula
C6H2ClF3INO
SMILES
C1=CC(=NC(=C1I)Cl)OC(F)(F)F
InChI
InChI=1S/C6H2ClF3INO/c7-5-3(11)1-2-4(12-5)13-6(8,9)10/h1-2H
InChIKey
AZPLTOZWQMTGIM-UHFFFAOYSA-N
Compound name
2-chloro-3-iodo-6-(trifluoromethoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

322.88217 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.88945 138.3
[M+Na]+ 345.87139 142.7
[M-H]- 321.87489 130.6
[M+NH4]+ 340.91599 152.0
[M+K]+ 361.84533 144.8
[M+H-H2O]+ 305.87943 127.3
[M+HCOO]- 367.88037 148.7
[M+CH3COO]- 381.89602 192.2
[M+Na-2H]- 343.85684 133.3
[M]+ 322.88162 135.4
[M]- 322.88272 135.4
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