CID 130095386

5-chloro-4-(difluoromethyl)-2-fluoropyridine

Structural Information

Molecular Formula
C6H3ClF3N
SMILES
C1=C(C(=CN=C1F)Cl)C(F)F
InChI
InChI=1S/C6H3ClF3N/c7-4-2-11-5(8)1-3(4)6(9)10/h1-2,6H
InChIKey
OALIYIXOEXHWCL-UHFFFAOYSA-N
Compound name
5-chloro-4-(difluoromethyl)-2-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.99062 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.997896 125.4
[M+Na]+ 203.979838 136.6
[M-H]- 179.983344 124.3
[M+NH4]+ 199.024443 145.3
[M+K]+ 219.953778 132.6
[M+H-H2O]+ 163.987880 117.8
[M+HCOO]- 225.988821 140.9
[M+CH3COO]- 240.004471 180.2
[M+Na-2H]- 201.965286 130.7
[M]+ 180.99007142 123.4
[M]- 180.99116858 123.4
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

No patent data available for this compound.