CID 12140226

3-chloro-4-(trifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=CN=CC(=C1C(F)(F)F)Cl
InChI
InChI=1S/C6H3ClF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
InChIKey
YNYROPYZSZBORI-UHFFFAOYSA-N
Compound name
3-chloro-4-(trifluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

180.99062 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.99790 133.2
[M+Na]+ 203.97984 144.3
[M+NH4]+ 199.02444 139.9
[M+K]+ 219.95378 138.5
[M-H]- 179.98334 130.4
[M+Na-2H]- 201.96529 139.1
[M]+ 180.99007 134.1
[M]- 180.99117 134.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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