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

52
Patents

196.96106 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96834 129.7
[M+Na]+ 219.95028 140.8
[M-H]- 195.95378 129.0
[M+NH4]+ 214.99488 149.1
[M+K]+ 235.92422 135.7
[M+H-H2O]+ 179.95832 123.6
[M+HCOO]- 241.95926 140.4
[M+CH3COO]- 255.97491 180.6
[M+Na-2H]- 217.93573 137.1
[M]+ 196.96051 129.5
[M]- 196.96161 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