CID 21257373

2,3-dichloro-5-(difluoromethyl)pyridine

Structural Information

Molecular Formula
C6H3Cl2F2N
SMILES
C1=C(C=NC(=C1Cl)Cl)C(F)F
InChI
InChI=1S/C6H3Cl2F2N/c7-4-1-3(6(9)10)2-11-5(4)8/h1-2,6H
InChIKey
ODKRLOKESDPEPD-UHFFFAOYSA-N
Compound name
2,3-dichloro-5-(difluoromethyl)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

196.96106 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.96834 127.8
[M+Na]+ 219.95028 139.2
[M-H]- 195.95378 127.3
[M+NH4]+ 214.99488 147.4
[M+K]+ 235.92422 134.2
[M+H-H2O]+ 179.95832 121.7
[M+HCOO]- 241.95926 139.2
[M+CH3COO]- 255.97491 182.2
[M+Na-2H]- 217.93573 133.0
[M]+ 196.96051 128.0
[M]- 196.96161 128.0
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