CID 26338146

3-chloro-4,5-difluoropyridine

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe