CID 4994583

2-chloro-5-(chlorodifluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3Cl2F2N
SMILES
C1=CC(=NC=C1C(F)(F)Cl)Cl
InChI
InChI=1S/C6H3Cl2F2N/c7-5-2-1-4(3-11-5)6(8,9)10/h1-3H
InChIKey
WXQQAFKXPWZPKW-UHFFFAOYSA-N
Compound name
2-chloro-5-[chloro(difluoro)methyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

196.96106 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.968336 129.7
[M+Na]+ 219.950278 140.8
[M-H]- 195.953784 129.0
[M+NH4]+ 214.994883 149.1
[M+K]+ 235.924218 135.7
[M+H-H2O]+ 179.958320 123.6
[M+HCOO]- 241.959261 140.4
[M+CH3COO]- 255.974911 180.6
[M+Na-2H]- 217.935726 137.1
[M]+ 196.96051142 129.5
[M]- 196.96160858 129.5
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