CID 45790949

2-chloro-4-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H4ClF2N
SMILES
C1=CN=C(C=C1C(F)F)Cl
InChI
InChI=1S/C6H4ClF2N/c7-5-3-4(6(8)9)1-2-10-5/h1-3,6H
InChIKey
CQNIYQCVDLBGPY-UHFFFAOYSA-N
Compound name
2-chloro-4-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

180
Patents

163.00003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.00731 126.4
[M+Na]+ 185.98925 139.1
[M+NH4]+ 181.03385 134.5
[M+K]+ 201.96319 132.6
[M-H]- 161.99275 125.7
[M+Na-2H]- 183.97470 133.4
[M]+ 162.99948 128.2
[M]- 163.00058 128.2
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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