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]+ 181.99790 125.4
[M+Na]+ 203.97984 136.6
[M-H]- 179.98334 124.3
[M+NH4]+ 199.02444 145.3
[M+K]+ 219.95378 132.6
[M+H-H2O]+ 163.98788 117.8
[M+HCOO]- 225.98882 140.9
[M+CH3COO]- 240.00447 180.2
[M+Na-2H]- 201.96529 130.7
[M]+ 180.99007 123.4
[M]- 180.99117 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.