CID 21946065

4-chloro-3,5-difluoropyridine

Structural Information

Molecular Formula
C5H2ClF2N
SMILES
C1=C(C(=C(C=N1)F)Cl)F
InChI
InChI=1S/C5H2ClF2N/c6-5-3(7)1-9-2-4(5)8/h1-2H
InChIKey
JAPLMZGRFXTEJB-UHFFFAOYSA-N
Compound name
4-chloro-3,5-difluoropyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

148.98439 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.991666 118.5
[M+Na]+ 171.973608 130.4
[M-H]- 147.977114 118.9
[M+NH4]+ 167.018213 139.8
[M+K]+ 187.947548 126.7
[M+H-H2O]+ 131.981650 112.0
[M+HCOO]- 193.982591 136.4
[M+CH3COO]- 207.998241 173.6
[M+Na-2H]- 169.959056 126.2
[M]+ 148.98384142 117.9
[M]- 148.98493858 117.9
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