CID 34175034

3,5-dichloro-4-fluoropyridine

Structural Information

Molecular Formula
C5H2Cl2FN
SMILES
C1=C(C(=C(C=N1)Cl)F)Cl
InChI
InChI=1S/C5H2Cl2FN/c6-3-1-9-2-4(7)5(3)8/h1-2H
InChIKey
RKPKLYSKLVUZKR-UHFFFAOYSA-N
Compound name
3,5-dichloro-4-fluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

164.95483 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.96211 121.9
[M+Na]+ 187.94405 133.9
[M-H]- 163.94755 122.7
[M+NH4]+ 182.98865 142.8
[M+K]+ 203.91799 129.2
[M+H-H2O]+ 147.95209 116.9
[M+HCOO]- 209.95303 135.6
[M+CH3COO]- 223.96868 175.7
[M+Na-2H]- 185.92950 129.2
[M]+ 164.95428 123.2
[M]- 164.95538 123.2
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