CID 2783252

3-chloro-2,5,6-trifluoropyridine

Structural Information

Molecular Formula
C5HClF3N
SMILES
C1=C(C(=NC(=C1Cl)F)F)F
InChI
InChI=1S/C5HClF3N/c6-2-1-3(7)5(9)10-4(2)8/h1H
InChIKey
OROKHXKJSDPRET-UHFFFAOYSA-N
Compound name
3-chloro-2,5,6-trifluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

166.97496 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.98224 120.4
[M+Na]+ 189.96418 133.2
[M-H]- 165.96768 119.7
[M+NH4]+ 185.00878 141.2
[M+K]+ 205.93812 129.0
[M+H-H2O]+ 149.97222 113.2
[M+HCOO]- 211.97316 137.2
[M+CH3COO]- 225.98881 177.5
[M+Na-2H]- 187.94963 126.7
[M]+ 166.97441 119.0
[M]- 166.97551 119.0
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

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