CID 23053241

2-chloro-5-(difluoromethyl)pyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

206
Patents

163.00003 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.007306 123.6
[M+Na]+ 185.989248 133.9
[M-H]- 161.992754 123.5
[M+NH4]+ 181.033853 144.0
[M+K]+ 201.963188 130.3
[M+H-H2O]+ 145.997290 116.7
[M+HCOO]- 207.998231 140.2
[M+CH3COO]- 222.013881 176.3
[M+Na-2H]- 183.974696 130.2
[M]+ 162.99948142 122.4
[M]- 163.00057858 122.4
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

patents stripe